1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol

C14H19ClF3NO2 — CID 60899678

IUPAC1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H19ClF3NO2/c1-9(2)7-21-8-11(20)6-19-10-3-4-13(15)12(5-10)14(16,17)18/h3-5,9,11,19-20H,6-8H2,1-2H3
InChIKeyXVIVVHGETFUTHI-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.80
Rot. Bonds7

About 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol

1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 60899678) has the molecular formula C14H19ClF3NO2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID60899678
Molecular FormulaC14H19ClF3NO2
Molecular Weight325.76 g/mol
Exact Mass325.11
IUPAC Name1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COCC(O)CNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H19ClF3NO2/c1-9(2)7-21-8-11(20)6-19-10-3-4-13(15)12(5-10)14(16,17)18/h3-5,9,11,19-20H,6-8H2,1-2H3
InChIKeyXVIVVHGETFUTHI-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-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-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
1-[4-fluoro-3-(trifluoromethyl)anilino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989570
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
1-(2-chloro-5-iodoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 114259977
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methylbutyl)propanamide
CID 109031971

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol (CID 60899678) is 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol is CC(C)COCC(O)CNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is XVIVVHGETFUTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NO2/c1-9(2)7-21-8-11(20)6-19-10-3-4-13(15)12(5-10)14(16,17)18/h3-5,9,11,19-20H,6-8H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol?
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 325.76 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 60899678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).