(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone

C15H14ClNO2 — CID 82265129

IUPAC(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C15H14ClNO2/c1-9-6-14(19-2)12(8-13(9)16)15(18)10-4-3-5-11(17)7-10/h3-8H,17H2,1-2H3
InChIKeyFKMDMLIUOWOUSL-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.47
Rot. Bonds3

About (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone

(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone (PubChem CID 82265129) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
PubChem CID82265129
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)c1cccc(N)c1
InChIInChI=1S/C15H14ClNO2/c1-9-6-14(19-2)12(8-13(9)16)15(18)10-4-3-5-11(17)7-10/h3-8H,17H2,1-2H3
InChIKeyFKMDMLIUOWOUSL-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-aminophenyl)-(5-chloro-2-methoxy-4-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

(3-aminophenyl)-(4-chloro-2-fluoro-5-methylphenyl)methanone
CID 10515712
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
(3-aminophenyl)-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 116917275
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82266056
(3-aminophenyl)-(4,5-diamino-2-aminooxyphenyl)methanone
CID 163893903
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(3-amino-2-chlorophenyl)-(3-aminophenyl)methanone
CID 86124935
2-bromo-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82489786
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82092906
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone (CID 82265129) is (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone is COc1cc(C)c(Cl)cc1C(=O)c1cccc(N)c1.
What is the InChIKey of (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone?
The InChIKey is FKMDMLIUOWOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-6-14(19-2)12(8-13(9)16)15(18)10-4-3-5-11(17)7-10/h3-8H,17H2,1-2H3.
What are the key properties of (3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone?
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)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-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 82265129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).