N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride

C16H20ClNO — CID 52916342

IUPACN-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
SMILESCOc1cccc(CNCCc2ccccc2)c1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-18-16-9-5-8-15(12-16)13-17-11-10-14-6-3-2-4-7-14;/h2-9,12,17H,10-11,13H2,1H3;1H
InChIKeyZYTGYDICMOZSTN-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.45
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride

N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride (PubChem CID 52916342) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
PubChem CID52916342
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
SMILESCOc1cccc(CNCCc2ccccc2)c1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-18-16-9-5-8-15(12-16)13-17-11-10-14-6-3-2-4-7-14;/h2-9,12,17H,10-11,13H2,1H3;1H
InChIKeyZYTGYDICMOZSTN-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.45
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

2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
1-[(3-methoxyphenyl)methylamino]-4-phenylbutan-2-ol;dihydrochloride
CID 172690704
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride (CID 52916342) is N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride is COc1cccc(CNCCc2ccccc2)c1.Cl.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
The InChIKey is ZYTGYDICMOZSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-18-16-9-5-8-15(12-16)13-17-11-10-14-6-3-2-4-7-14;/h2-9,12,17H,10-11,13H2,1H3;1H.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride?
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 52916342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).