(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone

C16H16ClNO2 — CID 18358234

IUPAC(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(N)cc2Cl)c(C)c1
InChIInChI=1S/C16H16ClNO2/c1-9-6-12(20-3)7-10(2)15(9)16(19)13-5-4-11(18)8-14(13)17/h4-8H,18H2,1-3H3
InChIKeyIALNCLAASQJLLF-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.78
Rot. Bonds3

About (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone

(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone (PubChem CID 18358234) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
PubChem CID18358234
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(N)cc2Cl)c(C)c1
InChIInChI=1S/C16H16ClNO2/c1-9-6-12(20-3)7-10(2)15(9)16(19)13-5-4-11(18)8-14(13)17/h4-8H,18H2,1-3H3
InChIKeyIALNCLAASQJLLF-UHFFFAOYSA-N
XLogP3.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.78
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

(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
CID 67314649
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
(4-amino-2-methoxyphenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350296
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone (CID 18358234) is (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2ccc(N)cc2Cl)c(C)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone?
The InChIKey is IALNCLAASQJLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-9-6-12(20-3)7-10(2)15(9)16(19)13-5-4-11(18)8-14(13)17/h4-8H,18H2,1-3H3.
What are the key properties of (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone?
(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone has a molecular weight of 289.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone is sourced from PubChem (CID 18358234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).