1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone

C16H16ClNO — CID 64915581

IUPAC1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H16ClNO/c1-10-5-11(2)7-12(6-10)8-16(19)14-4-3-13(17)9-15(14)18/h3-7,9H,8,18H2,1-2H3
InChIKeyXCJKPTSLUDUNMX-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.96
Rot. Bonds3

About 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone

1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 64915581) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID64915581
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)cc(CC(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H16ClNO/c1-10-5-11(2)7-12(6-10)8-16(19)14-4-3-13(17)9-15(14)18/h3-7,9H,8,18H2,1-2H3
InChIKeyXCJKPTSLUDUNMX-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
1-(2-bromo-5-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114026774
1-(2-amino-4-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 64915978
1-(2-amino-4-chlorophenyl)-4,4-dimethylpentan-1-one
CID 64915000
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
1-(2-chlorofuran-3-yl)-2-(3,5-dimethylphenyl)ethanone
CID 106690860
(3,5-dimethylphenyl)methyl 2-amino-5-chlorobenzoate
CID 60644529
1-(2-amino-4-chlorophenyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868499
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
1-(2-amino-4-chlorophenyl)-3-methylpentan-1-one
CID 64914013
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
CID 64914807

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone (CID 64915581) is 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone is Cc1cc(C)cc(CC(=O)c2ccc(Cl)cc2N)c1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is XCJKPTSLUDUNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-10-5-11(2)7-12(6-10)8-16(19)14-4-3-13(17)9-15(14)18/h3-7,9H,8,18H2,1-2H3.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 273.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 64915581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).