2-amino-1-(3-chlorophenyl)propan-1-one

C9H10ClNO — CID 22031823

IUPAC2-amino-1-(3-chlorophenyl)propan-1-one
SMILESCC(N)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3
InChIKeyRDWWHMAISJGIDU-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.87
Rot. Bonds2

About 2-amino-1-(3-chlorophenyl)propan-1-one

2-amino-1-(3-chlorophenyl)propan-1-one (PubChem CID 22031823) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-amino-1-(3-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chlorophenyl)propan-1-one
PubChem CID22031823
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-amino-1-(3-chlorophenyl)propan-1-one
SMILESCC(N)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3
InChIKeyRDWWHMAISJGIDU-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(3-chlorophenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chlorophenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-chlorophenyl)propan-1-one (CID 22031823) is 2-amino-1-(3-chlorophenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-chlorophenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-chlorophenyl)propan-1-one is CC(N)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-1-(3-chlorophenyl)propan-1-one?
The InChIKey is RDWWHMAISJGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3.
What are the key properties of 2-amino-1-(3-chlorophenyl)propan-1-one?
2-amino-1-(3-chlorophenyl)propan-1-one has a molecular weight of 183.64 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chlorophenyl)propan-1-one is sourced from PubChem (CID 22031823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).