3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol

C13H17ClF3NO — CID 114493143

IUPAC3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3NO/c1-3-12(19,4-2)8-18-11-6-5-9(7-10(11)14)13(15,16)17/h5-7,18-19H,3-4,8H2,1-2H3
InChIKeyYQKBOYWLAAMZAN-UHFFFAOYSA-N
MW295.73 g/mol
LogP4.32
Rot. Bonds5

About 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol

3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol (PubChem CID 114493143) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
PubChem CID114493143
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3NO/c1-3-12(19,4-2)8-18-11-6-5-9(7-10(11)14)13(15,16)17/h5-7,18-19H,3-4,8H2,1-2H3
InChIKeyYQKBOYWLAAMZAN-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-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-[(4-bromo-2-chloroanilino)methyl]pentan-3-ol
CID 114492781
3-[2-chloro-4-(trifluoromethyl)anilino]-2,2-dimethylpropanoic acid
CID 79623354
2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
CID 43714527
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
N'-tert-butyl-N-[2-chloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107445058
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
2-chloro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)aniline
CID 112589100
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
CID 60694052
1-amino-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 116515184
(Z)-4-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbut-2-enoic acid
CID 103250830
2-chloro-N-(2-propan-2-ylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 114268596

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol (CID 114493143) is 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol?
The InChIKey is YQKBOYWLAAMZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NO/c1-3-12(19,4-2)8-18-11-6-5-9(7-10(11)14)13(15,16)17/h5-7,18-19H,3-4,8H2,1-2H3.
What are the key properties of 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol?
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol has a molecular weight of 295.73 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol is sourced from PubChem (CID 114493143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).