(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol

C13H21NO — CID 97294233

IUPAC(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
SMILESCC(C)[C@](C)(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13(3,15)11-6-8-12(9-7-11)14(4)5/h6-10,15H,1-5H3/t13-/m0/s1
InChIKeyLKJAZNCSTMQMMK-ZDUSSCGKSA-N
MW207.32 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol

(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol (PubChem CID 97294233) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
PubChem CID97294233
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
SMILESCC(C)[C@](C)(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)13(3,15)11-6-8-12(9-7-11)14(4)5/h6-10,15H,1-5H3/t13-/m0/s1
InChIKeyLKJAZNCSTMQMMK-ZDUSSCGKSA-N
XLogP2.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol 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

(2R)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol
CID 97294234
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
2-(4-aminophenyl)-3-methylbutan-2-ol
CID 115015456
ethyl 3-[4-(dimethylamino)phenyl]-2-ethyl-3-hydroxybutanoate
CID 62394361
4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
CID 159098824
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
bis[4-(dimethylamino)phenyl]-(4-methylphenyl)methanol
CID 3639181
2-[4-(dimethylamino)phenyl]-2-hydroxypropanamide
CID 62226788
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
4-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethylaniline
CID 63897166
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
2-[4-(dimethylamino)phenyl]-2-methylpropanal
CID 83684941

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol?
The IUPAC name of (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol (CID 97294233) is (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol.
What is the SMILES notation for (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol?
The canonical SMILES for (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol is CC(C)[C@](C)(O)c1ccc(N(C)C)cc1.
What is the InChIKey of (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol?
The InChIKey is LKJAZNCSTMQMMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)13(3,15)11-6-8-12(9-7-11)14(4)5/h6-10,15H,1-5H3/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol?
(2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(dimethylamino)phenyl]-3-methylbutan-2-ol is sourced from PubChem (CID 97294233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).