Chemical Properties of N-acetyl-4-Iodo-2,5-dimethoxyphenethylamine

N-acetyl-4-Iodo-2,5-dimethoxyphenethylamine

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InChI
InChI=1S/C12H16INO3/c1-8(15)14-5-4-9-6-12(17-3)10(13)7-11(9)16-2/h6-7H,4-5H2,1-3H3,(H,14,15)
InChI Key
QRPIDJGCEAORLE-UHFFFAOYSA-N
Formula
C12H16INO3
SMILES
COc1cc(CCN=C(C)O)c(OC)cc1I
Molecular Weight1
349.16
Other Names
  • 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, acetylated
  • N-acetyl-2C-I
Sources

Physical Properties

Property Value Unit Source
Δfgas -356.26 kJ/mol Joback Calculated Property
Δvap 80.83 kJ/mol Joback Calculated Property
logPoct/wat 2.83 Crippen Calculated Property
Pc 2167.36 kPa Joback Calculated Property
Tboil 822.30 K Joback Calculated Property
Tc 1046.93 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 1
-N= 1
=CH- (ring) 2
-OH (alcohol) 1
-I 1
=C< (ring) 4
-CH2- 2
-CH3 3

Similar Compounds

4-iodo-2,5-dimethoxy-«beta»-phenethylamine, methylene artifact. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine, deuteromethylene artifact. 2C-I. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-1. 4-iodo-2,5-dimethoxy-.beta.-phenethylamine, TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-N-acetyl-), isomer-2. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, diacetylated. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-), methyl. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 1, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (O-desmethyl-), isomer 2, di-TFA. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HO-), acetylated. 2,5-Dimethoxyphenethylamine. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-HOOC-O-desmethyl-)-H2O. 4-iodo-2,5-dimethoxy-«beta»-phenethylamine-M, (desamino-di-HO-O-desmethyl-), triacetylated.

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