(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one

C13H19NO2 — CID 71241359

IUPAC(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
SMILESCCC(=O)[C@H]([C@H](O)c1ccccc1)N(C)C
InChIInChI=1S/C13H19NO2/c1-4-11(15)12(14(2)3)13(16)10-8-6-5-7-9-10/h5-9,12-13,16H,4H2,1-3H3/t12-,13-/m1/s1
InChIKeyWSPNSVURFBROND-CHWSQXEVSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds5

About (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one

(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one (PubChem CID 71241359) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one.

Molecular Properties

Compound Name(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
PubChem CID71241359
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
SMILESCCC(=O)[C@H]([C@H](O)c1ccccc1)N(C)C
InChIInChI=1S/C13H19NO2/c1-4-11(15)12(14(2)3)13(16)10-8-6-5-7-9-10/h5-9,12-13,16H,4H2,1-3H3/t12-,13-/m1/s1
InChIKeyWSPNSVURFBROND-CHWSQXEVSA-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 (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-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

(3S,4R,5R)-3-(dimethylamino)-4,6-dihydroxy-5-methyl-6-phenylhexan-2-one
CID 71016776
tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
CID 24977280
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
(1R,2S)-1-hydroxy-1-phenyl-2-phenylselanylpentan-3-one
CID 101116588
1-fluoro-1-phenylbutan-2-one
CID 90470836
N'-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N'-methylpropanehydrazide
CID 46900882
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
ethyl 3-oxo-2-phenylpentanoate
CID 57306037
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one?
The IUPAC name of (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one (CID 71241359) is (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one.
What is the SMILES notation for (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one?
The canonical SMILES for (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one is CCC(=O)[C@H]([C@H](O)c1ccccc1)N(C)C.
What is the InChIKey of (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one?
The InChIKey is WSPNSVURFBROND-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11(15)12(14(2)3)13(16)10-8-6-5-7-9-10/h5-9,12-13,16H,4H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one?
(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-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 (1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one is sourced from PubChem (CID 71241359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).