1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one

C13H19NO2 — CID 85280198

IUPAC1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
SMILESCC(=O)CN(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(15)9-14(3)11(2)13(16)12-7-5-4-6-8-12/h4-8,11,13,16H,9H2,1-3H3
InChIKeyUMBWWOLAMCKOHV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds5

About 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one

1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one (PubChem CID 85280198) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one.

Molecular Properties

Compound Name1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
PubChem CID85280198
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
SMILESCC(=O)CN(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10(15)9-14(3)11(2)13(16)12-7-5-4-6-8-12/h4-8,11,13,16H,9H2,1-3H3
InChIKeyUMBWWOLAMCKOHV-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]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

2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetohydrazide
CID 26416444
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
methyl 2-[[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetyl]amino]acetate
CID 100956994
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-N-(2,4,6-tribromophenyl)acetamide
CID 98083173
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1R,2S)-2-[[(2R)-2-amino-3-methylbutyl]-methylamino]-1-phenylpropan-1-ol
CID 86342127
(1R,2S)-2-[2,2-dimethoxyethyl(methyl)amino]-1-phenylpropan-1-ol
CID 102421960
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one?
The IUPAC name of 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one (CID 85280198) is 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one.
What is the SMILES notation for 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one?
The canonical SMILES for 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one is CC(=O)CN(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one?
The InChIKey is UMBWWOLAMCKOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(15)9-14(3)11(2)13(16)12-7-5-4-6-8-12/h4-8,11,13,16H,9H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one?
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one is sourced from PubChem (CID 85280198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).