2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride

C16H19Cl2NO — CID 17208566

IUPAC2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1cccc(CNCCc2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-19-16-4-2-3-14(11-16)12-18-10-9-13-5-7-15(17)8-6-13;/h2-8,11,18H,9-10,12H2,1H3;1H
InChIKeyPWZSAIGWOBYFQP-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.10
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride

2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 17208566) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID17208566
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1cccc(CNCCc2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C16H18ClNO.ClH/c1-19-16-4-2-3-14(11-16)12-18-10-9-13-5-7-15(17)8-6-13;/h2-8,11,18H,9-10,12H2,1H3;1H
InChIKeyPWZSAIGWOBYFQP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 17208568
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
2-(4-chlorophenyl)-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 17208490
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]-2-(4-chlorophenyl)ethanamine
CID 47009005
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride (CID 17208566) is 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride is COc1cccc(CNCCc2ccc(Cl)cc2)c1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is PWZSAIGWOBYFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c1-19-16-4-2-3-14(11-16)12-18-10-9-13-5-7-15(17)8-6-13;/h2-8,11,18H,9-10,12H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride?
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 17208566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).