1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone

C16H16ClNO2 — CID 64915978

IUPAC1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C16H16ClNO2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-5-4-12(17)9-14(13)18/h3-7,9H,8,18H2,1-2H3
InChIKeyXCNLOIBMPJCMPB-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone

1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone (PubChem CID 64915978) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
PubChem CID64915978
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C16H16ClNO2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-5-4-12(17)9-14(13)18/h3-7,9H,8,18H2,1-2H3
InChIKeyXCNLOIBMPJCMPB-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 107996257
(2-methoxy-5-methylphenyl)methyl 2-amino-5-chlorobenzoate
CID 63450676
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 63081738
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
1-(5-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 114965715
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 107469152
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 64915581
1-(3-amino-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116551055
1-(2-bromo-4-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 114968625
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanone
CID 114968572

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone (CID 64915978) is 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone is COc1ccc(C)cc1CC(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
The InChIKey is XCNLOIBMPJCMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-3-6-16(20-2)11(7-10)8-15(19)13-5-4-12(17)9-14(13)18/h3-7,9H,8,18H2,1-2H3.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone?
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone has a molecular weight of 289.76 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 64915978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).