(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone

C14H12BrNO — CID 81117835

IUPAC(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C14H12BrNO/c1-9-2-7-13(15)12(8-9)14(17)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3
InChIKeyCFIVNQZYLMORHA-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.57
Rot. Bonds2

About (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone

(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone (PubChem CID 81117835) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
PubChem CID81117835
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone
SMILESCc1ccc(Br)c(C(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C14H12BrNO/c1-9-2-7-13(15)12(8-9)14(17)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3
InChIKeyCFIVNQZYLMORHA-UHFFFAOYSA-N
XLogP3.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone
CID 82264961
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(4-aminophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547133
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
(2-bromo-5-methylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 114963527
2-bromo-5-methylbenzoic acid;ethane
CID 142935649
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547115
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone (CID 81117835) is (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone is Cc1ccc(Br)c(C(=O)c2ccc(N)cc2)c1.
What is the InChIKey of (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone?
The InChIKey is CFIVNQZYLMORHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-9-2-7-13(15)12(8-9)14(17)10-3-5-11(16)6-4-10/h2-8H,16H2,1H3.
What are the key properties of (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone?
(4-aminophenyl)-(2-bromo-5-methylphenyl)methanone has a molecular weight of 290.16 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-bromo-5-methylphenyl)methanone is sourced from PubChem (CID 81117835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).