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

C11H16ClNO2 — CID 170874850

IUPAC1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(C(N)CCO)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(14)9-2-4-10(5-3-9)11(12)6-7-13;/h2-5,11,13H,6-7,12H2,1H3;1H
InChIKeyXPHYHIDOCNOVJG-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.69
Rot. Bonds4

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

1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride (PubChem CID 170874850) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
PubChem CID170874850
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(C(N)CCO)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-8(14)9-2-4-10(5-3-9)11(12)6-7-13;/h2-5,11,13H,6-7,12H2,1H3;1H
InChIKeyXPHYHIDOCNOVJG-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone
CID 170874851
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673
3-amino-3-[4-(4-methylphenyl)phenyl]propan-1-ol;hydrochloride
CID 170875108
1-[4-(1-aminoethyl)phenyl]ethanone
CID 45086260
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
1-[5-(1-amino-3-hydroxypropyl)thiophen-2-yl]ethanone;hydrochloride
CID 170874996
methyl 4-[(1R)-1-amino-4-hydroxybutyl]benzoate;hydrochloride
CID 171212703
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-phenylphenyl)propan-1-ol;hydrochloride
CID 170874439
(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
CID 171198277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride (CID 170874850) is 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride is CC(=O)c1ccc(C(N)CCO)cc1.Cl.
What is the InChIKey of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride?
The InChIKey is XPHYHIDOCNOVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-8(14)9-2-4-10(5-3-9)11(12)6-7-13;/h2-5,11,13H,6-7,12H2,1H3;1H.
What are the key properties of 1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride?
1-[4-(1-amino-3-hydroxypropyl)phenyl]ethanone;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.69, 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;hydrochloride is sourced from PubChem (CID 170874850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).