1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

C17H18BrNO — CID 62051949

IUPAC1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
SMILESCc1ccc(CN(C)CC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO/c1-13-6-8-14(9-7-13)11-19(2)12-17(20)15-4-3-5-16(18)10-15/h3-10H,11-12H2,1-2H3
InChIKeyVGLHUYOINNISOG-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.07
Rot. Bonds5

About 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone (PubChem CID 62051949) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
PubChem CID62051949
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
SMILESCc1ccc(CN(C)CC(=O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H18BrNO/c1-13-6-8-14(9-7-13)11-19(2)12-17(20)15-4-3-5-16(18)10-15/h3-10H,11-12H2,1-2H3
InChIKeyVGLHUYOINNISOG-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]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

1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone
CID 62052681

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone (CID 62051949) is 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone is Cc1ccc(CN(C)CC(=O)c2cccc(Br)c2)cc1.
What is the InChIKey of 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The InChIKey is VGLHUYOINNISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-13-6-8-14(9-7-13)11-19(2)12-17(20)15-4-3-5-16(18)10-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone has a molecular weight of 332.24 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 62051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).