1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol

C14H19F4NO — CID 103821545

IUPAC1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-3-6-13(2,20)9-19-8-10-4-5-11(15)7-12(10)14(16,17)18/h4-5,7,19-20H,3,6,8-9H2,1-2H3
InChIKeyQITXVUUYRXXGLK-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.49
Rot. Bonds6

About 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol (PubChem CID 103821545) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
PubChem CID103821545
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-3-6-13(2,20)9-19-8-10-4-5-11(15)7-12(10)14(16,17)18/h4-5,7,19-20H,3,6,8-9H2,1-2H3
InChIKeyQITXVUUYRXXGLK-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpropan-2-ol
CID 78927299
2-ethoxy-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114941536
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N,2,2-trimethylpropanamide
CID 103824330
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
3-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 103952707
1-[(2-chloro-5-fluorophenyl)methylamino]-2-methylbutan-2-ol
CID 102615748
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 81297245
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-methoxypropan-1-amine
CID 102696977
1-[(2,5-difluorophenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 113237042
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429

Frequently Asked Questions

What is the IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol (CID 103821545) is 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol?
The InChIKey is QITXVUUYRXXGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-3-6-13(2,20)9-19-8-10-4-5-11(15)7-12(10)14(16,17)18/h4-5,7,19-20H,3,6,8-9H2,1-2H3.
What are the key properties of 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol?
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol has a molecular weight of 293.30 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 103821545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).