1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine

C33H36Br2N2O2 — CID 162072380

IUPAC1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2)cc1.CN(C)CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1.CNC
InChIInChI=1S/C17H18BrNO.C14H11BrO.C2H7N/c1-19(2)12-11-17(20)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14;1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;1-3-2/h3-10H,11-12H2,1-2H3;2-9H,1H3;3H,1-2H3
InChIKeyZBGKMRUGYJNNQF-UHFFFAOYSA-N
MW652.47 g/mol
LogP8.40
Rot. Bonds7

About 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine

1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine (PubChem CID 162072380) has the molecular formula C33H36Br2N2O2 and a molecular weight of 652.47 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine
PubChem CID162072380
Molecular FormulaC33H36Br2N2O2
Molecular Weight652.47 g/mol
Exact Mass650.11
IUPAC Name1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine
SMILESCC(=O)c1ccc(-c2ccc(Br)cc2)cc1.CN(C)CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1.CNC
InChIInChI=1S/C17H18BrNO.C14H11BrO.C2H7N/c1-19(2)12-11-17(20)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14;1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;1-3-2/h3-10H,11-12H2,1-2H3;2-9H,1H3;3H,1-2H3
InChIKeyZBGKMRUGYJNNQF-UHFFFAOYSA-N
XLogP8.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.47
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
1-(4-bromophenyl)ethanone;butane
CID 69403420
1-[4-(4-acetylphenyl)phenyl]pentan-1-one
CID 10989623
benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-(4-bromophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-one
CID 62612491
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
1-(4-bromophenyl)-3-[(4-bromothiophen-2-yl)methyl-methylamino]propan-1-one
CID 63482092
1-bromo-4-[(E)-3-(4-bromophenyl)but-2-en-2-yl]benzene;1-(4-bromophenyl)ethanone
CID 157172690
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine?
The IUPAC name of 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine (CID 162072380) is 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine.
What is the SMILES notation for 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine?
The canonical SMILES for 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine is CC(=O)c1ccc(-c2ccc(Br)cc2)cc1.CN(C)CCC(=O)c1ccc(-c2ccc(Br)cc2)cc1.CNC.
What is the InChIKey of 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine?
The InChIKey is ZBGKMRUGYJNNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO.C14H11BrO.C2H7N/c1-19(2)12-11-17(20)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14;1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;1-3-2/h3-10H,11-12H2,1-2H3;2-9H,1H3;3H,1-2H3.
What are the key properties of 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine?
1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine has a molecular weight of 652.47 g/mol, XLogP of 8.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)phenyl]-3-(dimethylamino)propan-1-one;1-[4-(4-bromophenyl)phenyl]ethanone;N-methylmethanamine is sourced from PubChem (CID 162072380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).