4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol

C15H22F3NO — CID 103897705

IUPAC4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-14(2,8-5-9-20)11-19-10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,19-20H,5,8-11H2,1-2H3
InChIKeyFOUUWCKBRGBVFW-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.59
Rot. Bonds7

About 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol

4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (PubChem CID 103897705) 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-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
PubChem CID103897705
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESCC(C)(CCCO)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-14(2,8-5-9-20)11-19-10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,19-20H,5,8-11H2,1-2H3
InChIKeyFOUUWCKBRGBVFW-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
5-Benzylamino-1-pentanol
CID 17206415
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
1-{[2-(Trifluoromethyl)benzyl]amino}propan-2-ol
CID 2966560
2-{Propyl[2-(trifluoromethyl)benzyl]amino}ethanol
CID 782481
(1-{[2-(Trifluoromethyl)phenyl]methyl}pyrrolidin-2-yl)methanol
CID 2845337
2-{[2-(Trifluoromethyl)benzyl]amino}ethanol
CID 1814897
8-Benzylamino-1-octanol
CID 44629746
4-{[(2-Fluorophenyl)methyl]amino}pentan-1-ol
CID 75356516
1-(Benzylamino)-2,2,2-trifluoroethanol
CID 130006436
3-{[(2-Methylphenyl)methyl]amino}propan-1-ol
CID 28714311

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (CID 103897705) is 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is CC(C)(CCCO)CNCc1ccccc1C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The InChIKey is FOUUWCKBRGBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-14(2,8-5-9-20)11-19-10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,19-20H,5,8-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol has a molecular weight of 289.34 g/mol, XLogP of 3.59, 7 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-1-ol is sourced from PubChem (CID 103897705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).