1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol

C15H22F3NO2 — CID 106292709

IUPAC1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-3-8-14(2,21)10-19-9-13(20)11-4-6-12(7-5-11)15(16,17)18/h4-7,13,19-21H,3,8-10H2,1-2H3
InChIKeyXCXIOHJZGQQPFX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.88
Rot. Bonds7

About 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol

1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol (PubChem CID 106292709) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
PubChem CID106292709
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-3-8-14(2,21)10-19-9-13(20)11-4-6-12(7-5-11)15(16,17)18/h4-7,13,19-21H,3,8-10H2,1-2H3
InChIKeyXCXIOHJZGQQPFX-UHFFFAOYSA-N
XLogP2.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-hydroxy-2-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzonitrile
CID 106292451
1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-methylpentan-2-ol
CID 106292535
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
CID 60909343
1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 59729414
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 106371948
1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 115345025
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol (CID 106292709) is 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol?
The InChIKey is XCXIOHJZGQQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-8-14(2,21)10-19-9-13(20)11-4-6-12(7-5-11)15(16,17)18/h4-7,13,19-21H,3,8-10H2,1-2H3.
What are the key properties of 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol?
1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol has a molecular weight of 305.34 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106292709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).