1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone

C15H14BrNO — CID 102579783

IUPAC1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NCc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c1-11(18)14-7-2-3-8-15(14)17-10-12-5-4-6-13(16)9-12/h2-9,17H,10H2,1H3
InChIKeySNNVSHNWLFDEPK-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.26
Rot. Bonds4

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

1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone (PubChem CID 102579783) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
PubChem CID102579783
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccccc1NCc1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c1-11(18)14-7-2-3-8-15(14)17-10-12-5-4-6-13(16)9-12/h2-9,17H,10H2,1H3
InChIKeySNNVSHNWLFDEPK-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
2-[[3-(N-acetyl-4-bromoanilino)phenyl]methylamino]benzamide
CID 175550780
1-[2-[(5-bromo-2-pyridinyl)methylamino]phenyl]ethanone
CID 166438397
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
methyl 5-[(3-bromophenyl)methylamino]-2,4-difluorobenzoate
CID 43731407
2-[(3-carboxyphenyl)methylamino]benzoic acid
CID 10468410
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
3-bromo-4-[(3-bromophenyl)methylamino]benzoic acid
CID 82800352
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
2-[(3-propan-2-yloxyphenyl)methylamino]benzoic acid
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1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone (CID 102579783) is 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone is CC(=O)c1ccccc1NCc1cccc(Br)c1.
What is the InChIKey of 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone?
The InChIKey is SNNVSHNWLFDEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11(18)14-7-2-3-8-15(14)17-10-12-5-4-6-13(16)9-12/h2-9,17H,10H2,1H3.
What are the key properties of 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone?
1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone has a molecular weight of 304.19 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 102579783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).