3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol

C13H16F3NO — CID 113350008

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC(c1ccccc1)C1CC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11(18)8-17-12(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-12,17-18H,6-8H2
InChIKeyWSVIUZGZGMVWAF-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.65
Rot. Bonds5

About 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol

3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 113350008) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
PubChem CID113350008
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC(c1ccccc1)C1CC1)C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11(18)8-17-12(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-12,17-18H,6-8H2
InChIKeyWSVIUZGZGMVWAF-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-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-cyclopropyl-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 63298552
1,1,1-trifluoro-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954039
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
3-[[cyclohexyl-[3-(4-fluorophenoxy)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 67204885
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981486
1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 103729480
1-(4-amino-3,5-dichlorophenyl)-2-[[cyclopropyl(phenyl)methyl]amino]ethanol
CID 69490564
1,1,1-trifluoro-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 63901679
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
1-cyclopropyl-N-[cyclopropyl(phenyl)methyl]-1-phenylmethanamine
CID 61312190
(1R)-2-[[(S)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258708
(1S)-2-[[(R)-cyclohexyl(phenyl)methyl]amino]-1-pyridin-4-ylethanol
CID 97258709

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol (CID 113350008) is 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol is OC(CNC(c1ccccc1)C1CC1)C(F)(F)F.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is WSVIUZGZGMVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11(18)8-17-12(10-6-7-10)9-4-2-1-3-5-9/h1-5,10-12,17-18H,6-8H2.
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol?
3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 259.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 113350008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).