(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone

C14H12BrNO — CID 82073342

IUPAC(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2N)ccc1Br
InChIInChI=1S/C14H12BrNO/c1-9-8-10(6-7-12(9)15)14(17)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3
InChIKeyJQFOLUALPIANAI-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.57
Rot. Bonds2

About (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone

(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone (PubChem CID 82073342) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
PubChem CID82073342
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)c2ccccc2N)ccc1Br
InChIInChI=1S/C14H12BrNO/c1-9-8-10(6-7-12(9)15)14(17)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3
InChIKeyJQFOLUALPIANAI-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': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
(4-amino-3-methylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81478857
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840024
(4-bromo-3-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971892
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone (CID 82073342) is (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone is Cc1cc(C(=O)c2ccccc2N)ccc1Br.
What is the InChIKey of (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone?
The InChIKey is JQFOLUALPIANAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-9-8-10(6-7-12(9)15)14(17)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3.
What are the key properties of (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone?
(2-aminophenyl)-(4-bromo-3-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 (2-aminophenyl)-(4-bromo-3-methylphenyl)methanone is sourced from PubChem (CID 82073342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).