(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone

C15H14ClNO2 — CID 116551045

IUPAC(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)c(N)c2)ccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-9-3-4-10(7-13(9)17)15(18)11-5-6-12(16)14(8-11)19-2/h3-8H,17H2,1-2H3
InChIKeyPPQCDZCLJJOKIB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.47
Rot. Bonds3

About (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone

(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone (PubChem CID 116551045) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
PubChem CID116551045
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(C)c(N)c2)ccc1Cl
InChIInChI=1S/C15H14ClNO2/c1-9-3-4-10(7-13(9)17)15(18)11-5-6-12(16)14(8-11)19-2/h3-8H,17H2,1-2H3
InChIKeyPPQCDZCLJJOKIB-UHFFFAOYSA-N
XLogP3.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)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

(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(3-amino-4-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298208
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-indol-5-yl)methanone
CID 116554235
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone?
The IUPAC name of (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone (CID 116551045) is (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2ccc(C)c(N)c2)ccc1Cl.
What is the InChIKey of (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone?
The InChIKey is PPQCDZCLJJOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-3-4-10(7-13(9)17)15(18)11-5-6-12(16)14(8-11)19-2/h3-8H,17H2,1-2H3.
What are the key properties of (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone?
(3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone has a molecular weight of 275.74 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylphenyl)-(4-chloro-3-methoxyphenyl)methanone is sourced from PubChem (CID 116551045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).