1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one

C18H20BrNO — CID 65488620

IUPAC1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(Br)cc1)CCc1ccccc1
InChIInChI=1S/C18H20BrNO/c1-20(13-11-15-5-3-2-4-6-15)14-12-18(21)16-7-9-17(19)10-8-16/h2-10H,11-14H2,1H3
InChIKeyRAKODTNHCILJRZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.20
Rot. Bonds7

About 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one

1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one (PubChem CID 65488620) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
PubChem CID65488620
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccc(Br)cc1)CCc1ccccc1
InChIInChI=1S/C18H20BrNO/c1-20(13-11-15-5-3-2-4-6-15)14-12-18(21)16-7-9-17(19)10-8-16/h2-10H,11-14H2,1H3
InChIKeyRAKODTNHCILJRZ-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
1-(4-bromophenyl)-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 62611657
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
N-benzyl-4-bromo-N-methylbenzamide
CID 751372
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
CID 11653229
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
N,N-dimethyl-3-[4-(2-phenylacetyl)phenyl]propanamide
CID 22461794

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one (CID 65488620) is 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one is CN(CCC(=O)c1ccc(Br)cc1)CCc1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one?
The InChIKey is RAKODTNHCILJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-20(13-11-15-5-3-2-4-6-15)14-12-18(21)16-7-9-17(19)10-8-16/h2-10H,11-14H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one?
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one has a molecular weight of 346.27 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one is sourced from PubChem (CID 65488620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).