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

C15H22F3NO — CID 111467443

IUPAC2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESCC(C)(CO)CCCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-14(2,11-20)8-3-9-19-10-12-4-6-13(7-5-12)15(16,17)18/h4-7,19-20H,3,8-11H2,1-2H3
InChIKeyHIKOUVHFJGVYIQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.59
Rot. Bonds7

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

2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (PubChem CID 111467443) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
PubChem CID111467443
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
SMILESCC(C)(CO)CCCNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-14(2,11-20)8-3-9-19-10-12-4-6-13(7-5-12)15(16,17)18/h4-7,19-20H,3,8-11H2,1-2H3
InChIKeyHIKOUVHFJGVYIQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
CID 77062247
4-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 106844754
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
N-[(4-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038802
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115572429
2-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methylamino]pentyl]propane-2-sulfonamide
CID 70939243
N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 20601070
N,N-dimethyl-4-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 79039488

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol (CID 111467443) is 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is CC(C)(CO)CCCNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
The InChIKey is HIKOUVHFJGVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-14(2,11-20)8-3-9-19-10-12-4-6-13(7-5-12)15(16,17)18/h4-7,19-20H,3,8-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol?
2,2-dimethyl-5-[[4-(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 2,2-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylamino]pentan-1-ol is sourced from PubChem (CID 111467443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).