1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone

C17H18BrNO — CID 65488762

IUPAC1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
SMILESCN(CCc1ccccc1)CC(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNO/c1-19(12-11-14-7-3-2-4-8-14)13-17(20)15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3
InChIKeyOVYRCXRXWIMUDA-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.81
Rot. Bonds6

About 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone

1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone (PubChem CID 65488762) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
PubChem CID65488762
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
SMILESCN(CCc1ccccc1)CC(=O)c1ccccc1Br
InChIInChI=1S/C17H18BrNO/c1-19(12-11-14-7-3-2-4-8-14)13-17(20)15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3
InChIKeyOVYRCXRXWIMUDA-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
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CID 65486677
1-[methyl(2-phenylethyl)amino]pentan-2-one
CID 65486864
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
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1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
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1-(2-bromophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanone
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CID 63713643

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone (CID 65488762) is 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone is CN(CCc1ccccc1)CC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone?
The InChIKey is OVYRCXRXWIMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-19(12-11-14-7-3-2-4-8-14)13-17(20)15-9-5-6-10-16(15)18/h2-10H,11-13H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone?
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone has a molecular weight of 332.24 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone is sourced from PubChem (CID 65488762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).