1-(4-amino-3-methylphenyl)-2-chloropropan-1-one

C10H12ClNO — CID 118832418

IUPAC1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
SMILESCc1cc(C(=O)C(C)Cl)ccc1N
InChIInChI=1S/C10H12ClNO/c1-6-5-8(3-4-9(6)12)10(13)7(2)11/h3-5,7H,12H2,1-2H3
InChIKeyFONNOWQOYHDYSJ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.39
Rot. Bonds2

About 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one

1-(4-amino-3-methylphenyl)-2-chloropropan-1-one (PubChem CID 118832418) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
PubChem CID118832418
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name1-(4-amino-3-methylphenyl)-2-chloropropan-1-one
SMILESCc1cc(C(=O)C(C)Cl)ccc1N
InChIInChI=1S/C10H12ClNO/c1-6-5-8(3-4-9(6)12)10(13)7(2)11/h3-5,7H,12H2,1-2H3
InChIKeyFONNOWQOYHDYSJ-UHFFFAOYSA-N
XLogP2.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.39
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

1-(4-amino-3-methylphenyl)-2-methylsulfonylpropan-1-one
CID 104522550
methyl 4-(2-chloropropanoyl)-2-methylbenzoate
CID 134635112
2-chloro-1-[4-(chloromethyl)-3-methylphenyl]propan-1-one
CID 130779168
2-chloro-1-(4-methyl-3-sulfanylphenyl)propan-1-one
CID 131075129
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
N-[4-(2-chloropropanoyl)-2-methylphenyl]propanamide
CID 82044753
4-amino-3-methyl-N-oxobenzamide
CID 89119624
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
1-(4-amino-3-methylphenyl)prop-2-en-1-one
CID 116553934
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
4-methylpentan-2-yl 4-amino-3-methylbenzoate
CID 61278819
4-amino-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 61248489

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one?
The IUPAC name of 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one (CID 118832418) is 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one?
The canonical SMILES for 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one is Cc1cc(C(=O)C(C)Cl)ccc1N.
What is the InChIKey of 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one?
The InChIKey is FONNOWQOYHDYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-6-5-8(3-4-9(6)12)10(13)7(2)11/h3-5,7H,12H2,1-2H3.
What are the key properties of 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one?
1-(4-amino-3-methylphenyl)-2-chloropropan-1-one has a molecular weight of 197.66 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)-2-chloropropan-1-one is sourced from PubChem (CID 118832418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).