2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol

C12H16F3NO — CID 60903667

IUPAC2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(C)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3
InChIKeyKUZNXSHSKATPSR-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.74
Rot. Bonds4

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

2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 60903667) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID60903667
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCC(C)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3
InChIKeyKUZNXSHSKATPSR-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(propan-2-ylamino)-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-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
2-[1-[4-(aminomethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70554567
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-(1-pyridin-2-ylethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 110896910
2-[1-(4-aminophenyl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol;dihydrochloride
CID 70534879
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
CID 64548724
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol (CID 60903667) is 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is CC(C)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KUZNXSHSKATPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8(2)16-7-11(17)9-4-3-5-10(6-9)12(13,14)15/h3-6,8,11,16-17H,7H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol?
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 247.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60903667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).