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

C12H17NO — CID 116555932

IUPAC4-amino-1-(3-methylphenyl)pentan-2-one
SMILESCc1cccc(CC(=O)CC(C)N)c1
InChIInChI=1S/C12H17NO/c1-9-4-3-5-11(6-9)8-12(14)7-10(2)13/h3-6,10H,7-8,13H2,1-2H3
InChIKeyNSYVXNIDGXWXMV-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.84
Rot. Bonds4

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

4-amino-1-(3-methylphenyl)pentan-2-one (PubChem CID 116555932) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-amino-1-(3-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(3-methylphenyl)pentan-2-one
PubChem CID116555932
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-amino-1-(3-methylphenyl)pentan-2-one
SMILESCc1cccc(CC(=O)CC(C)N)c1
InChIInChI=1S/C12H17NO/c1-9-4-3-5-11(6-9)8-12(14)7-10(2)13/h3-6,10H,7-8,13H2,1-2H3
InChIKeyNSYVXNIDGXWXMV-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(3-methylphenyl)pentan-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

1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
6-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116607590
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
5-(2-aminoethyl)-6-methyl-1-(3-methylphenyl)heptan-2-one
CID 116577951
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
1-(4-bromophenyl)-3-(3-methylphenyl)propan-2-one
CID 60798384
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
CID 116555905
5-amino-5-methyl-1-(3-methylphenyl)hexan-2-one
CID 116571386
azanium 2-(3-methylphenyl)acetate
CID 141323779
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
CID 64540830
3-methoxy-1-(3-methylphenyl)butan-2-one
CID 79616168
2-amino-N-[(3-methylphenyl)methyl]butanamide
CID 60915006

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methylphenyl)pentan-2-one?
The IUPAC name of 4-amino-1-(3-methylphenyl)pentan-2-one (CID 116555932) is 4-amino-1-(3-methylphenyl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(3-methylphenyl)pentan-2-one?
The canonical SMILES for 4-amino-1-(3-methylphenyl)pentan-2-one is Cc1cccc(CC(=O)CC(C)N)c1.
What is the InChIKey of 4-amino-1-(3-methylphenyl)pentan-2-one?
The InChIKey is NSYVXNIDGXWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-3-5-11(6-9)8-12(14)7-10(2)13/h3-6,10H,7-8,13H2,1-2H3.
What are the key properties of 4-amino-1-(3-methylphenyl)pentan-2-one?
4-amino-1-(3-methylphenyl)pentan-2-one has a molecular weight of 191.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methylphenyl)pentan-2-one is sourced from PubChem (CID 116555932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).