1-(5-amino-3-chloro-2-methylphenyl)ethanone

C9H10ClNO — CID 131271311

IUPAC1-(5-amino-3-chloro-2-methylphenyl)ethanone
SMILESCC(=O)c1cc(N)cc(Cl)c1C
InChIInChI=1S/C9H10ClNO/c1-5-8(6(2)12)3-7(11)4-9(5)10/h3-4H,11H2,1-2H3
InChIKeyGFRRSGYGLPEUDE-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.43
Rot. Bonds1

About 1-(5-amino-3-chloro-2-methylphenyl)ethanone

1-(5-amino-3-chloro-2-methylphenyl)ethanone (PubChem CID 131271311) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-methylphenyl)ethanone
PubChem CID131271311
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(5-amino-3-chloro-2-methylphenyl)ethanone
SMILESCC(=O)c1cc(N)cc(Cl)c1C
InChIInChI=1S/C9H10ClNO/c1-5-8(6(2)12)3-7(11)4-9(5)10/h3-4H,11H2,1-2H3
InChIKeyGFRRSGYGLPEUDE-UHFFFAOYSA-N
XLogP2.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.43
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-(3-chloro-5-hydroxy-2-methylphenyl)ethanone
CID 89337330
5-amino-2,3-dichlorobenzamide
CID 107183127
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549
3-chloro-2,5-dimethylbenzamide
CID 171008035
1-[5-amino-2-(aminomethyl)-3-methylphenyl]ethanone;ethane
CID 144854338
(4-amino-2-chloro-6-methylphenyl) acetate
CID 143294448
2-amino-5-chloro-3-iodo-4-methylbenzoic acid
CID 87269500
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
5-amino-3-chloro-2-methylbenzenesulfonamide
CID 68873212
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-methylphenyl)ethanone?
The IUPAC name of 1-(5-amino-3-chloro-2-methylphenyl)ethanone (CID 131271311) is 1-(5-amino-3-chloro-2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-3-chloro-2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-amino-3-chloro-2-methylphenyl)ethanone is CC(=O)c1cc(N)cc(Cl)c1C.
What is the InChIKey of 1-(5-amino-3-chloro-2-methylphenyl)ethanone?
The InChIKey is GFRRSGYGLPEUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-5-8(6(2)12)3-7(11)4-9(5)10/h3-4H,11H2,1-2H3.
What are the key properties of 1-(5-amino-3-chloro-2-methylphenyl)ethanone?
1-(5-amino-3-chloro-2-methylphenyl)ethanone has a molecular weight of 183.64 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-methylphenyl)ethanone is sourced from PubChem (CID 131271311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).