(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone

C15H15ClN2O — CID 134092266

IUPAC(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(2)12-6-3-10(4-7-12)15(19)13-8-5-11(17)9-14(13)16/h3-9H,17H2,1-2H3
InChIKeyQLRBGROSVJPDBQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.22
Rot. Bonds3

About (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone

(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 134092266) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
PubChem CID134092266
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(2)12-6-3-10(4-7-12)15(19)13-8-5-11(17)9-14(13)16/h3-9H,17H2,1-2H3
InChIKeyQLRBGROSVJPDBQ-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.22
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-chlorophenyl)methanone
CID 3016510
(4-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66259410
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
N-[4-(2,4-dichlorobenzoyl)phenyl]-N-methylformamide
CID 43340829
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
CID 67314649
2-(4-amino-2-chlorophenyl)-2-oxoacetaldehyde
CID 174493058
(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
CID 18358234
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
1-(2-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethane-1,2-dione
CID 12619979

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone (CID 134092266) is (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)c2ccc(N)cc2Cl)cc1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is QLRBGROSVJPDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(2)12-6-3-10(4-7-12)15(19)13-8-5-11(17)9-14(13)16/h3-9H,17H2,1-2H3.
What are the key properties of (4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone?
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 274.75 g/mol, XLogP of 3.22, 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-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 134092266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).