1-amino-1-(2-ethylphenyl)propan-2-one

C11H15NO — CID 55294273

IUPAC1-amino-1-(2-ethylphenyl)propan-2-one
SMILESCCc1ccccc1C(N)C(C)=O
InChIInChI=1S/C11H15NO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h4-7,11H,3,12H2,1-2H3
InChIKeyIBYFCEOPRDKFAS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.84
Rot. Bonds3

About 1-amino-1-(2-ethylphenyl)propan-2-one

1-amino-1-(2-ethylphenyl)propan-2-one (PubChem CID 55294273) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-amino-1-(2-ethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-1-(2-ethylphenyl)propan-2-one
PubChem CID55294273
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-amino-1-(2-ethylphenyl)propan-2-one
SMILESCCc1ccccc1C(N)C(C)=O
InChIInChI=1S/C11H15NO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h4-7,11H,3,12H2,1-2H3
InChIKeyIBYFCEOPRDKFAS-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-amino-1-(2-ethylphenyl)propan-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-bromo-1-(2-ethylphenyl)propan-2-one
CID 130785743
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097
1-amino-1-(2-bromophenyl)propan-2-one
CID 116859743
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
2-(2-ethylphenyl)butanamide
CID 69466890
1-(2-ethylphenyl)-3-methylidenepentan-1-amine
CID 105006111
ethyl 2-(2-ethylphenyl)propanoate
CID 105459112
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-ethylphenyl)propan-2-one?
The IUPAC name of 1-amino-1-(2-ethylphenyl)propan-2-one (CID 55294273) is 1-amino-1-(2-ethylphenyl)propan-2-one.
What is the SMILES notation for 1-amino-1-(2-ethylphenyl)propan-2-one?
The canonical SMILES for 1-amino-1-(2-ethylphenyl)propan-2-one is CCc1ccccc1C(N)C(C)=O.
What is the InChIKey of 1-amino-1-(2-ethylphenyl)propan-2-one?
The InChIKey is IBYFCEOPRDKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h4-7,11H,3,12H2,1-2H3.
What are the key properties of 1-amino-1-(2-ethylphenyl)propan-2-one?
1-amino-1-(2-ethylphenyl)propan-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-ethylphenyl)propan-2-one is sourced from PubChem (CID 55294273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).