1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone

C15H14BrNO — CID 116581383

IUPAC1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
SMILESCc1ccc(N)c(C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO/c1-10-2-7-14(17)13(8-10)15(18)9-11-3-5-12(16)6-4-11/h2-8H,9,17H2,1H3
InChIKeyFGKBSLMTDLSZEI-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.77
Rot. Bonds3

About 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone

1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone (PubChem CID 116581383) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
PubChem CID116581383
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
SMILESCc1ccc(N)c(C(=O)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO/c1-10-2-7-14(17)13(8-10)15(18)9-11-3-5-12(16)6-4-11/h2-8H,9,17H2,1H3
InChIKeyFGKBSLMTDLSZEI-UHFFFAOYSA-N
XLogP3.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)-2-(4-chlorophenyl)ethanone
CID 82703999
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(2-bromo-5-methylphenyl)-2-(4-nitrophenyl)ethanone
CID 81110987
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-amino-5-methylphenyl)-2-naphthalen-1-ylethanone
CID 116581294
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267
1-(2-amino-5-bromophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 82703996
1-[4-methyl-2-(2-phenylacetyl)phenyl]-2-phenylethanone
CID 141249588

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone?
The IUPAC name of 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone (CID 116581383) is 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone is Cc1ccc(N)c(C(=O)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone?
The InChIKey is FGKBSLMTDLSZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-2-7-14(17)13(8-10)15(18)9-11-3-5-12(16)6-4-11/h2-8H,9,17H2,1H3.
What are the key properties of 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone?
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone has a molecular weight of 304.19 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone is sourced from PubChem (CID 116581383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).