3-(2-ethylanilino)-2,2-dimethylpropan-1-ol

C13H21NO — CID 81414834

IUPAC3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
SMILESCCc1ccccc1NCC(C)(C)CO
InChIInChI=1S/C13H21NO/c1-4-11-7-5-6-8-12(11)14-9-13(2,3)10-15/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyOCMOPWVMKOCUTP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds5

About 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol

3-(2-ethylanilino)-2,2-dimethylpropan-1-ol (PubChem CID 81414834) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
PubChem CID81414834
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(2-ethylanilino)-2,2-dimethylpropan-1-ol
SMILESCCc1ccccc1NCC(C)(C)CO
InChIInChI=1S/C13H21NO/c1-4-11-7-5-6-8-12(11)14-9-13(2,3)10-15/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyOCMOPWVMKOCUTP-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethylanilino)-2,2-dimethylpropan-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

3-(2-bromoanilino)-2,2-dimethylpropan-1-ol
CID 81414093
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2,2-dimethyl-3-(2-propoxyanilino)propan-1-ol
CID 81414196
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
3-[2-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414336
2-ethyl-N-(2-methylprop-2-enyl)aniline
CID 60679757
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
ethyl 2-(2-ethylanilino)acetate
CID 28583397
2-bromo-6-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 114888374
2-[[2-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81418794
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol (CID 81414834) is 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol is CCc1ccccc1NCC(C)(C)CO.
What is the InChIKey of 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol?
The InChIKey is OCMOPWVMKOCUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-7-5-6-8-12(11)14-9-13(2,3)10-15/h5-8,14-15H,4,9-10H2,1-3H3.
What are the key properties of 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol?
3-(2-ethylanilino)-2,2-dimethylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylanilino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).