1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone

C11H15NO2 — CID 170874851

IUPAC1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(N)CCO)cc1
InChIInChI=1S/C11H15NO2/c1-8(14)9-2-4-10(5-3-9)11(12)6-7-13/h2-5,11,13H,6-7,12H2,1H3
InChIKeyLUNOMDHJVRHREL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.27
Rot. Bonds4

About 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone

1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone (PubChem CID 170874851) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
PubChem CID170874851
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(N)CCO)cc1
InChIInChI=1S/C11H15NO2/c1-8(14)9-2-4-10(5-3-9)11(12)6-7-13/h2-5,11,13H,6-7,12H2,1H3
InChIKeyLUNOMDHJVRHREL-UHFFFAOYSA-N
XLogP1.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone 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-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
CID 170874850
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
CID 23570467
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
methyl 4-[(1R)-1-amino-4-hydroxybutyl]benzoate;hydrochloride
CID 171212703
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride
CID 170874996
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone?
The IUPAC name of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone (CID 170874851) is 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone is CC(=O)c1ccc(C(N)CCO)cc1.
What is the InChIKey of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone?
The InChIKey is LUNOMDHJVRHREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(14)9-2-4-10(5-3-9)11(12)6-7-13/h2-5,11,13H,6-7,12H2,1H3.
What are the key properties of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone?
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone is sourced from PubChem (CID 170874851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).