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

C12H16F3NO — CID 167467620

IUPAC1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
SMILESCCC(O)CN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-11(17)8-16(2)10-6-4-9(5-7-10)12(13,14)15/h4-7,11,17H,3,8H2,1-2H3
InChIKeyJRIDVXWMBCFUIV-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.91
Rot. Bonds4

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

1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol (PubChem CID 167467620) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
PubChem CID167467620
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol
SMILESCCC(O)CN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-11(17)8-16(2)10-6-4-9(5-7-10)12(13,14)15/h4-7,11,17H,3,8H2,1-2H3
InChIKeyJRIDVXWMBCFUIV-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[N-methyl-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

1-amino-3-[N-methyl-4-(trifluoromethyl)anilino]propan-2-ol
CID 70591029
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
[2-[2-hydroxy-3-[N-methyl-4-(trifluoromethyl)anilino]propoxy]phenyl]methyl acetate
CID 118595348
2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
1-bromo-3-(4-ethyl-N-methylanilino)propan-2-ol
CID 112561541
(5S)-3-methyl-5-[[4-(trifluoromethyl)anilino]methyl]-1,3-oxazolidin-2-one;(2S)-1-[N-methyl-4-(trifluoromethyl)anilino]-3-[4-(trifluoromethyl)anilino]propan-2-ol;sulfane
CID 158493910
methyl 4-[N-methyl-4-(trifluoromethyl)anilino]butanoate
CID 62650602
N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
CID 70976882
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
CID 146573346
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612

Frequently Asked Questions

What is the IUPAC name of 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol?
The IUPAC name of 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol (CID 167467620) is 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol.
What is the SMILES notation for 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol?
The canonical SMILES for 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol is CCC(O)CN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol?
The InChIKey is JRIDVXWMBCFUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-11(17)8-16(2)10-6-4-9(5-7-10)12(13,14)15/h4-7,11,17H,3,8H2,1-2H3.
What are the key properties of 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol?
1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol has a molecular weight of 247.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-methyl-4-(trifluoromethyl)anilino]butan-2-ol is sourced from PubChem (CID 167467620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).