Chemical Properties of 5-METHYLTRYPTAMINE

InChI

InChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

InChI Key

PYOUAIQXJALPKW-UHFFFAOYSA-N

Formula

C11H14N2

SMILES

Cc1ccc2[nH]cc(CCN)c2c1

Molecular Weight¹

174.25

Other Names

• 1H-Indole-3-ethanamine, 5-methyl
• Indole, 3-(aminoethyl)-5-methyl-
• 5-Methyl-3-(aminoethyl)indole
• Tryptamine, 5-methyl

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[7.60; 7.64]	eV
IE	7.60	eV	NIST
IE	7.64 ± 0.05	eV	NIST
logPoct/wat	1.496		Crippen Calculated Property
McVol	146.890	ml/mol	McGowan Calculated Property
Inp	[1795.00; 1795.00]
Inp	1795.00		NIST
Inp	1795.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 5-METHYLTRYPTAMINE.

Sources

• 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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