1-(5-amino-2-methylphenyl)-2-chloroethanone

C9H10ClNO — CID 88924641

IUPAC1-(5-amino-2-methylphenyl)-2-chloroethanone
SMILESCc1ccc(N)cc1C(=O)CCl
InChIInChI=1S/C9H10ClNO/c1-6-2-3-7(11)4-8(6)9(12)5-10/h2-4H,5,11H2,1H3
InChIKeyUMXAADTVCSYXTL-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.00
Rot. Bonds2

About 1-(5-amino-2-methylphenyl)-2-chloroethanone

1-(5-amino-2-methylphenyl)-2-chloroethanone (PubChem CID 88924641) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(5-amino-2-methylphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(5-amino-2-methylphenyl)-2-chloroethanone
PubChem CID88924641
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(5-amino-2-methylphenyl)-2-chloroethanone
SMILESCc1ccc(N)cc1C(=O)CCl
InChIInChI=1S/C9H10ClNO/c1-6-2-3-7(11)4-8(6)9(12)5-10/h2-4H,5,11H2,1H3
InChIKeyUMXAADTVCSYXTL-UHFFFAOYSA-N
XLogP2.00
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
CID 142097721
1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
CID 171018097
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-amino-N-carbamoyl-2-methylbenzamide
CID 130015000
5-amino-N-(2,2-dimethylbutyl)-2-methylbenzamide
CID 103459942
3-(1-aminoethenyl)-4-methylaniline
CID 134441825
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
3-(5-amino-2-methylbenzoyl)oxypropanoic acid
CID 63950145
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
2-amino-4-(2-chloroacetyl)-5-methylbenzonitrile
CID 171013585
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylphenyl)-2-chloroethanone?
The IUPAC name of 1-(5-amino-2-methylphenyl)-2-chloroethanone (CID 88924641) is 1-(5-amino-2-methylphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(5-amino-2-methylphenyl)-2-chloroethanone?
The canonical SMILES for 1-(5-amino-2-methylphenyl)-2-chloroethanone is Cc1ccc(N)cc1C(=O)CCl.
What is the InChIKey of 1-(5-amino-2-methylphenyl)-2-chloroethanone?
The InChIKey is UMXAADTVCSYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-2-3-7(11)4-8(6)9(12)5-10/h2-4H,5,11H2,1H3.
What are the key properties of 1-(5-amino-2-methylphenyl)-2-chloroethanone?
1-(5-amino-2-methylphenyl)-2-chloroethanone has a molecular weight of 183.64 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylphenyl)-2-chloroethanone is sourced from PubChem (CID 88924641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).