2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol

C13H21NO — CID 115133229

IUPAC2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)C(C)(C)CO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-6-7-12(11(2)8-10)14(5)13(3,4)9-15/h6-8,15H,9H2,1-5H3
InChIKeyCISIVHDSDABPNG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol

2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol (PubChem CID 115133229) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
PubChem CID115133229
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol
SMILESCc1ccc(N(C)C(C)(C)CO)c(C)c1
InChIInChI=1S/C13H21NO/c1-10-6-7-12(11(2)8-10)14(5)13(3,4)9-15/h6-8,15H,9H2,1-5H3
InChIKeyCISIVHDSDABPNG-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(N,2,4-trimethylanilino)propan-1-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

2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
N'-(2,4-dimethylphenyl)-N-ethyl-N',2,2-trimethylpropane-1,3-diamine
CID 62260646
3-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzoic acid
CID 63983852
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
2-[2-bromo-4-[(1S)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-1-ol
CID 104864038
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
1-bromo-3-(N,2,4-trimethylanilino)propan-2-ol
CID 112561545
2-amino-2-ethyl-5-(N,2,4-trimethylanilino)pentan-1-ol
CID 106808963
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol?
The IUPAC name of 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol (CID 115133229) is 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol is Cc1ccc(N(C)C(C)(C)CO)c(C)c1.
What is the InChIKey of 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol?
The InChIKey is CISIVHDSDABPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-6-7-12(11(2)8-10)14(5)13(3,4)9-15/h6-8,15H,9H2,1-5H3.
What are the key properties of 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol?
2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(N,2,4-trimethylanilino)propan-1-ol is sourced from PubChem (CID 115133229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).