4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol

C13H18F3NO2 — CID 106254298

IUPAC4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-12(18,7-8-19-2)9-17-11-5-3-10(4-6-11)13(14,15)16/h3-6,17-18H,7-9H2,1-2H3
InChIKeyLASVXCZDMRTTHV-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.90
Rot. Bonds6

About 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol

4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol (PubChem CID 106254298) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol
PubChem CID106254298
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-12(18,7-8-19-2)9-17-11-5-3-10(4-6-11)13(14,15)16/h3-6,17-18H,7-9H2,1-2H3
InChIKeyLASVXCZDMRTTHV-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-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

4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-2-(trifluoromethyl)benzonitrile
CID 106254337
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-5-(trifluoromethyl)benzonitrile
CID 106254470
N-[4-(2-methoxyethylamino)phenyl]-4-(trifluoromethyl)benzamide
CID 112980946
5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 106256960
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 56724287
4,4-dimethyl-5-[4-(trifluoromethyl)anilino]pentanenitrile
CID 115749443
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494
4-methoxy-2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]butan-2-ol
CID 106254567
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-(6-amino-3-chloro-2-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 114271170
2,3-difluoro-4-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]benzoic acid
CID 106257639

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol (CID 106254298) is 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol is COCCC(C)(O)CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol?
The InChIKey is LASVXCZDMRTTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-12(18,7-8-19-2)9-17-11-5-3-10(4-6-11)13(14,15)16/h3-6,17-18H,7-9H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol?
4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol has a molecular weight of 277.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[4-(trifluoromethyl)anilino]butan-2-ol is sourced from PubChem (CID 106254298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).