2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol

C18H20F3NO — CID 24805250

IUPAC2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol
SMILESCCCC(O)(C(Nc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H20F3NO/c1-2-13-17(23,18(19,20)21)16(14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12,16,22-23H,2,13H2,1H3
InChIKeyFSGNNFXHUJUJOY-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.93
Rot. Bonds6

About 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol

2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol (PubChem CID 24805250) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol
PubChem CID24805250
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol
SMILESCCCC(O)(C(Nc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H20F3NO/c1-2-13-17(23,18(19,20)21)16(14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12,16,22-23H,2,13H2,1H3
InChIKeyFSGNNFXHUJUJOY-UHFFFAOYSA-N
XLogP4.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 155539293
(1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)-3-(methylamino)propan-2-ol
CID 24764464
(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897269
(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
(R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 44574739
(R,S/S,R)-syn-3-amino-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)propan-2-ol
CID 44574883
(R,S/S,R)-syn-3-amino-1-(methyl(phenyl)amino)-1-phenylpropan-2-ol
CID 24897032
(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
CID 44574884
(1S,2S)-2-anilino-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 90683351
2-Phenyl-2-(p-tolylamino)-ethanol
CID 10868027

Frequently Asked Questions

What is the IUPAC name of 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol (CID 24805250) is 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol is CCCC(O)(C(Nc1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol?
The InChIKey is FSGNNFXHUJUJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c1-2-13-17(23,18(19,20)21)16(14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12,16,22-23H,2,13H2,1H3.
What are the key properties of 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol?
2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol has a molecular weight of 323.36 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[anilino(phenyl)methyl]-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 24805250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).