5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one

C12H16ClNO — CID 116594757

IUPAC5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
SMILESCC(CCN)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-9(6-7-14)12(15)8-10-2-4-11(13)5-3-10/h2-5,9H,6-8,14H2,1H3
InChIKeyUJNZUQJEWBGLSX-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.44
Rot. Bonds5

About 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one

5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one (PubChem CID 116594757) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one.

Molecular Properties

Compound Name5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
PubChem CID116594757
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one
SMILESCC(CCN)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO/c1-9(6-7-14)12(15)8-10-2-4-11(13)5-3-10/h2-5,9H,6-8,14H2,1H3
InChIKeyUJNZUQJEWBGLSX-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-1-(4-chlorophenyl)-2-methylbutan-1-one
CID 116594848
3-amino-1-(4-chlorophenyl)-5-methylhexan-2-one
CID 116553421
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
1-(4-iodophenyl)-3-methylhexan-2-one
CID 114974127
5-amino-1-(2,4-difluorophenyl)-3-methylpentan-2-one
CID 116594975
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
6-amino-3-methyl-1-thiophen-3-ylhexan-2-one
CID 116613568
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750311
4-amino-1-(2,4-dichlorophenyl)-3-methylbutan-2-one
CID 116564374
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
3-amino-1-(4-chlorophenyl)hex-5-yn-2-one
CID 116606472

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one?
The IUPAC name of 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one (CID 116594757) is 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one.
What is the SMILES notation for 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one?
The canonical SMILES for 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one is CC(CCN)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one?
The InChIKey is UJNZUQJEWBGLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(6-7-14)12(15)8-10-2-4-11(13)5-3-10/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one?
5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one has a molecular weight of 225.72 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chlorophenyl)-3-methylpentan-2-one is sourced from PubChem (CID 116594757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).