2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

C23H25NO2 — CID 177381530

IUPAC2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO2/c1-25-22-11-5-9-19(15-22)13-14-24-17-21-10-6-12-23(16-21)26-18-20-7-3-2-4-8-20/h2-12,15-16,24H,13-14,17-18H2,1H3
InChIKeyXCQIXROAJOYSJE-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.61
Rot. Bonds9

About 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine

2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 177381530) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID177381530
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H25NO2/c1-25-22-11-5-9-19(15-22)13-14-24-17-21-10-6-12-23(16-21)26-18-20-7-3-2-4-8-20/h2-12,15-16,24H,13-14,17-18H2,1H3
InChIKeyXCQIXROAJOYSJE-UHFFFAOYSA-N
XLogP4.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylmethoxyphenyl)acetamide
CID 13406973
2-(2-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4718442
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine (CID 177381530) is 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is COc1cccc(CCNCc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is XCQIXROAJOYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-25-22-11-5-9-19(15-22)13-14-24-17-21-10-6-12-23(16-21)26-18-20-7-3-2-4-8-20/h2-12,15-16,24H,13-14,17-18H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine?
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 347.46 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 177381530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).