1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride

C18H23Cl2NO3 — CID 47008256

IUPAC1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(CNC(C)c2ccccc2Cl)c(OC)c1OC.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-12(14-7-5-6-8-15(14)19)20-11-13-9-10-16(21-2)18(23-4)17(13)22-3;/h5-10,12,20H,11H2,1-4H3;1H
InChIKeyBYINPIYVVURSIH-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.64
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride

1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 47008256) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID47008256
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1ccc(CNC(C)c2ccccc2Cl)c(OC)c1OC.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-12(14-7-5-6-8-15(14)19)20-11-13-9-10-16(21-2)18(23-4)17(13)22-3;/h5-10,12,20H,11H2,1-4H3;1H
InChIKeyBYINPIYVVURSIH-UHFFFAOYSA-N
XLogP4.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
(1R)-1-(3,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 30620479
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1R)-1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 94114613
1-(5-chlorothiophen-2-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47027581
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
1-(2,5-dimethylfuran-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47081563
1-(2,5-dimethylthiophen-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 86931333
(1R)-1-(2-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375155
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride (CID 47008256) is 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride is COc1ccc(CNC(C)c2ccccc2Cl)c(OC)c1OC.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is BYINPIYVVURSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3.ClH/c1-12(14-7-5-6-8-15(14)19)20-11-13-9-10-16(21-2)18(23-4)17(13)22-3;/h5-10,12,20H,11H2,1-4H3;1H.
What are the key properties of 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 372.29 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 47008256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).