1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone

C24H25NO2 — CID 46630509

IUPAC1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-18(26)21-14-15-23(27-3)22(16-21)17-25(2)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,24H,17H2,1-3H3
InChIKeyDFESQSGYWLOCFY-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.12
Rot. Bonds7

About 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone

1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone (PubChem CID 46630509) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
PubChem CID46630509
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CN(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO2/c1-18(26)21-14-15-23(27-3)22(16-21)17-25(2)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,24H,17H2,1-3H3
InChIKeyDFESQSGYWLOCFY-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone 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

2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
3-(5-acetyl-2-methoxyphenyl)-2-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
CID 12006231
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
CID 78792072
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
4-methoxy-3-[(N-methylanilino)methyl]benzoic acid
CID 62016912
1-[3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60691475
(5-acetyl-2-methoxyphenyl)methyl-diethylazanium
CID 6943942

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone (CID 46630509) is 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1CN(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone?
The InChIKey is DFESQSGYWLOCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18(26)21-14-15-23(27-3)22(16-21)17-25(2)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,24H,17H2,1-3H3.
What are the key properties of 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone?
1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[benzhydryl(methyl)amino]methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 46630509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).