1-(3-amino-5-methylphenyl)propan-1-one

C10H13NO — CID 123760774

IUPAC1-(3-amino-5-methylphenyl)propan-1-one
SMILESCCC(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C10H13NO/c1-3-10(12)8-4-7(2)5-9(11)6-8/h4-6H,3,11H2,1-2H3
InChIKeyGBWSCGCSPZTAKW-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.17
Rot. Bonds2

About 1-(3-amino-5-methylphenyl)propan-1-one

1-(3-amino-5-methylphenyl)propan-1-one (PubChem CID 123760774) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(3-amino-5-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-amino-5-methylphenyl)propan-1-one
PubChem CID123760774
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(3-amino-5-methylphenyl)propan-1-one
SMILESCCC(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C10H13NO/c1-3-10(12)8-4-7(2)5-9(11)6-8/h4-6H,3,11H2,1-2H3
InChIKeyGBWSCGCSPZTAKW-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-amino-5-(bromomethyl)phenyl]propan-1-one
CID 130839562
1-(3-amino-5-methylsulfanylphenyl)propan-1-one
CID 131194880
2-(3-amino-5-propanoylphenyl)acetonitrile
CID 131010986
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
CID 162413876
CID 162413876
1-(4-aminophenyl)propan-1-one
CID 6270
(3-amino-5-methylphenyl)-(4-propylphenyl)methanone
CID 113396436
2-amino-1-(3,5-dimethylphenyl)-2-ethylbutan-1-one
CID 116592559
(3-amino-5-methylphenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210595
(3-amino-5-methylphenyl)-cyclopentylmethanone
CID 130689709
1-[3-(3,5-dimethylphenyl)phenyl]propan-1-one
CID 54912702
3-(aminomethyl)-1-(3,5-dimethylphenyl)pentan-1-one
CID 116596132

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylphenyl)propan-1-one?
The IUPAC name of 1-(3-amino-5-methylphenyl)propan-1-one (CID 123760774) is 1-(3-amino-5-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(3-amino-5-methylphenyl)propan-1-one?
The canonical SMILES for 1-(3-amino-5-methylphenyl)propan-1-one is CCC(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 1-(3-amino-5-methylphenyl)propan-1-one?
The InChIKey is GBWSCGCSPZTAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10(12)8-4-7(2)5-9(11)6-8/h4-6H,3,11H2,1-2H3.
What are the key properties of 1-(3-amino-5-methylphenyl)propan-1-one?
1-(3-amino-5-methylphenyl)propan-1-one has a molecular weight of 163.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylphenyl)propan-1-one is sourced from PubChem (CID 123760774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).