3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one

C12H17NO2 — CID 20547331

IUPAC3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCN(C)CC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(15,9-13(2)3)11(14)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3
InChIKeyDCBFTVVYQBKSMH-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.18
Rot. Bonds4

About 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one

3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 20547331) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID20547331
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESCN(C)CC(C)(O)C(=O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(15,9-13(2)3)11(14)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3
InChIKeyDCBFTVVYQBKSMH-UHFFFAOYSA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-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

3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-one;hydrochloride
CID 21116615
3-(dimethylamino)-2-methoxy-2-methyl-1-phenylpropan-1-one
CID 20547322
2,5-dihydroxy-2-methyl-1-phenylpentan-1-one
CID 175459425
2,2-dimethyl-3-(N-methylanilino)-1-phenylpropan-1-one
CID 63195859
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
2-benzoyl-2,3-dihydroxy-3-methylbutanedioic acid
CID 141115442
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N,N-diethyl-4-hydroxy-4-methyl-5-oxo-5-phenylpentanamide
CID 20547339
2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;(2R)-1-(dimethylamino)propan-2-ol
CID 68509755
benzoic acid;1-(dimethylamino)-2-[(dimethylamino)methyl]butan-2-ol;dihydrate;hydrochloride
CID 20833886
2-hydroxy-2-methyl-1-phenyl-3-propan-2-yloxypropan-1-one
CID 19878495
2-methyl-2-[(2-methyl-1-oxo-1-phenylpropan-2-yl)diazenyl]-1-phenylpropan-1-one
CID 12576841

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one (CID 20547331) is 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one is CN(C)CC(C)(O)C(=O)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is DCBFTVVYQBKSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(15,9-13(2)3)11(14)10-7-5-4-6-8-10/h4-8,15H,9H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one?
3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 20547331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).