4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol

C15H22F3NO — CID 111468025

IUPAC4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-11(20)8-14(2,3)10-19-9-12-6-4-5-7-13(12)15(16,17)18/h4-7,11,19-20H,8-10H2,1-3H3
InChIKeyRPYSQLQTZRUTMR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.59
Rot. Bonds6

About 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol

4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol (PubChem CID 111468025) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
PubChem CID111468025
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
SMILESCC(O)CC(C)(C)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-11(20)8-14(2,3)10-19-9-12-6-4-5-7-13(12)15(16,17)18/h4-7,11,19-20H,8-10H2,1-3H3
InChIKeyRPYSQLQTZRUTMR-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 103897705
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 111472761
3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
CID 113352552
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
3-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 102904012
5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111468002
5-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467997
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
N'-methyl-N'-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 62635384

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol (CID 111468025) is 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol is CC(O)CC(C)(C)CNCc1ccccc1C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
The InChIKey is RPYSQLQTZRUTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(20)8-14(2,3)10-19-9-12-6-4-5-7-13(12)15(16,17)18/h4-7,11,19-20H,8-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol?
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol has a molecular weight of 289.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol is sourced from PubChem (CID 111468025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).