(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone

C15H14ClNO2 — CID 112580781

IUPAC(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H14ClNO2/c1-9-6-7-13(19-2)11(8-9)15(18)10-4-3-5-12(17)14(10)16/h3-8H,17H2,1-2H3
InChIKeyOXPLORBIHODTDC-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.47
Rot. Bonds3

About (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone

(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone (PubChem CID 112580781) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
PubChem CID112580781
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1cccc(N)c1Cl
InChIInChI=1S/C15H14ClNO2/c1-9-6-7-13(19-2)11(8-9)15(18)10-4-3-5-12(17)14(10)16/h3-8H,17H2,1-2H3
InChIKeyOXPLORBIHODTDC-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'}

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Related Compounds

(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 112580769
(5-amino-2,3-dichlorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 107201476
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(3-amino-2-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 112580779
(3-amino-2-methylphenyl)-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82092906
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
(4-chloro-1-benzofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114321301

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The IUPAC name of (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone (CID 112580781) is (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone is COc1ccc(C)cc1C(=O)c1cccc(N)c1Cl.
What is the InChIKey of (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
The InChIKey is OXPLORBIHODTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-6-7-13(19-2)11(8-9)15(18)10-4-3-5-12(17)14(10)16/h3-8H,17H2,1-2H3.
What are the key properties of (3-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone?
(3-amino-2-chlorophenyl)-(2-methoxy-5-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-amino-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 112580781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).