1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol

C17H23F6NO2 — CID 54171615

IUPAC1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol
SMILESCC(C)OCCC(Cc1cccc(C(F)(F)F)c1)NCC(O)C(F)(F)F
InChIInChI=1S/C17H23F6NO2/c1-11(2)26-7-6-14(24-10-15(25)17(21,22)23)9-12-4-3-5-13(8-12)16(18,19)20/h3-5,8,11,14-15,24-25H,6-7,9-10H2,1-2H3
InChIKeyOVLBUDJNILIATF-UHFFFAOYSA-N
MW387.36 g/mol
LogP3.94
Rot. Bonds9

About 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol

1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol (PubChem CID 54171615) has the molecular formula C17H23F6NO2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol
PubChem CID54171615
Molecular FormulaC17H23F6NO2
Molecular Weight387.36 g/mol
Exact Mass387.16
IUPAC Name1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol
SMILESCC(C)OCCC(Cc1cccc(C(F)(F)F)c1)NCC(O)C(F)(F)F
InChIInChI=1S/C17H23F6NO2/c1-11(2)26-7-6-14(24-10-15(25)17(21,22)23)9-12-4-3-5-13(8-12)16(18,19)20/h3-5,8,11,14-15,24-25H,6-7,9-10H2,1-2H3
InChIKeyOVLBUDJNILIATF-UHFFFAOYSA-N
XLogP3.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]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

2-Propanol, 1-[(1-methylethyl)amino]-3-(3-phenyl
CID 12797747
2-((1-Methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethanol
CID 35748
(3R,5R)-5-[(4-octylphenyl)methyl]pyrrolidin-3-ol
CID 145980599
1-Propanol, 3-(alpha-methyl-m-trifluoromethylphenethylamino)-
CID 211154
(E,2R,3R,8S,10S)-8,10-dimethyl-2-(methylamino)-1-phenyldodec-6-en-3-ol
CID 51351565
CID 10780776
CID 10780776
Phenethylamine, N-(2-ethoxyethyl)-alpha-methyl-m-trifluoromethyl-
CID 3057530
Benzene, 1-(1-hydroxy-2-isopropylamino)ethyl-3-trifluoromethyl-
CID 60903667
Asperidine A
CID 146684014
2-(3-(2,4-Difluorophenyl)-2-(ethylamino)propoxy)ethan-1-ol hydrochloride
CID 165700016
4-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025036
N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025037

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol (CID 54171615) is 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol is CC(C)OCCC(Cc1cccc(C(F)(F)F)c1)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol?
The InChIKey is OVLBUDJNILIATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F6NO2/c1-11(2)26-7-6-14(24-10-15(25)17(21,22)23)9-12-4-3-5-13(8-12)16(18,19)20/h3-5,8,11,14-15,24-25H,6-7,9-10H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol has a molecular weight of 387.36 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[4-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]butan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 54171615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).