- InChI
- InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
- InChI Key
- ZSTKHSQDNIGFLM-UHFFFAOYSA-N
- Formula
- C13H18N2O
- SMILES
- COc1ccc2[nH]cc(CCN(C)C)c2c1
- Molecular Weight1
- 218.29
- CAS
- 1019-45-0
- Other Names
-
- Bufotenine, O-methyl-
- CT 4334
- 3-(2-Dimethylaminoethyl)-5-methoxyindole
- N,N-Dimethyl-5-methoxytryptamine
- Indole, 3-[2-(dimethylamino)ethyl]-5-methoxy-
- Methoxybufotenin
- 5-Methoxydimethyltryptamine
- 5-Methoxy-N,N-dimethyltryptamine
- Methylbufotenine
- O-Methylbufotenine
- Indole, 3-(2-(N,N-dimethylamino)ethyl)-5-methoxy-
- MeODMT
- 3-(2-(N,N-Dimethylamino)ethyl)-5-methoxyindole
- NSC 88624
- 5-methoxy-N,N-dimethyl-1H-indole-3-ethylamine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6294 | Relay (1.0) Calculated Property | |
| ΔfG° | 218.49 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -9.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 91.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 ± 0.14 | eV | NIST |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.799 | Crippen Calculated Property | |
| McVol | 180.940 | ml/mol | McGowan Calculated Property |
| Pc | 2380.91 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1960.00 | NIST | |
| Tboil | 622.20 | K | Relay (1.0) Calculated Property |
| Tc | 853.95 | K | Relay (1.0) Calculated Property |
| Tfus | 382.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indole-3-ethanamine, 5-methoxy-N,N-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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