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

C9H10F3NO — CID 30514

IUPAC2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2
InChIKeyRRBRWAPWPGAJMA-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.70
Rot. Bonds2

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

2-amino-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 30514) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID30514
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESNCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2
InChIKeyRRBRWAPWPGAJMA-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-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-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
2-amino-1-[3-(1,1-difluoro-3-methylbutyl)phenyl]ethanol
CID 116993040
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
3-amino-1-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 138490004

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol (CID 30514) is 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol is NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RRBRWAPWPGAJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)7-3-1-2-6(4-7)8(14)5-13/h1-4,8,14H,5,13H2.
What are the key properties of 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol?
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 30514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).