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

C17H18BrNO — CID 62035559

IUPAC2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO/c1-13-5-3-7-15(9-13)17(20)12-19(2)11-14-6-4-8-16(18)10-14/h3-10H,11-12H2,1-2H3
InChIKeyNANYOHHFPYFKIK-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.07
Rot. Bonds5

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

2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone (PubChem CID 62035559) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
PubChem CID62035559
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)Cc2cccc(Br)c2)c1
InChIInChI=1S/C17H18BrNO/c1-13-5-3-7-15(9-13)17(20)12-19(2)11-14-6-4-8-16(18)10-14/h3-10H,11-12H2,1-2H3
InChIKeyNANYOHHFPYFKIK-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

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Related Compounds

1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
2-[(3-bromophenyl)methyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 171702396
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892938
N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
CID 62051984

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone (CID 62035559) is 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN(C)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
The InChIKey is NANYOHHFPYFKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-13-5-3-7-15(9-13)17(20)12-19(2)11-14-6-4-8-16(18)10-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone?
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)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 2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 62035559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).