(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

C14H18F3NO2 — CID 99809966

IUPAC(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCCN(C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)11-3-1-2-10(8-11)13(20)9-18(6-7-19)12-4-5-12/h1-3,8,12-13,19-20H,4-7,9H2/t13-/m1/s1
InChIKeyCOWLGUWJJPMODE-CYBMUJFWSA-N
MW289.30 g/mol
LogP2.20
Rot. Bonds6

About (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol

(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 99809966) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID99809966
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESOCCN(C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)11-3-1-2-10(8-11)13(20)9-18(6-7-19)12-4-5-12/h1-3,8,12-13,19-20H,4-7,9H2/t13-/m1/s1
InChIKeyCOWLGUWJJPMODE-CYBMUJFWSA-N
XLogP2.20
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol 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

2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193
2-[cyclopropyl(3-methylbutyl)amino]-1-(3-methylphenyl)ethanol
CID 78976695
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 66371942
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
piperidin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11392289

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol (CID 99809966) is (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is OCCN(C[C@@H](O)c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is COWLGUWJJPMODE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)11-3-1-2-10(8-11)13(20)9-18(6-7-19)12-4-5-12/h1-3,8,12-13,19-20H,4-7,9H2/t13-/m1/s1.
What are the key properties of (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol?
(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 289.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 99809966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).