6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol

C14H20F3NO — CID 22006356

IUPAC6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c15-14(16,17)13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19/h3-4,7-8,18-19H,1-2,5-6,9-11H2
InChIKeyFFJVQFFSNXQCGO-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.35
Rot. Bonds8

About 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol

6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol (PubChem CID 22006356) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
PubChem CID22006356
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
SMILESOCCCCCCNCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H20F3NO/c15-14(16,17)13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19/h3-4,7-8,18-19H,1-2,5-6,9-11H2
InChIKeyFFJVQFFSNXQCGO-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 103897705
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
3-(2,6-dimethylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 122574255
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine
CID 114472266
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
CID 112731367
2-ethylsulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 104668531
6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol
CID 114009115
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol?
The IUPAC name of 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol (CID 22006356) is 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol.
What is the SMILES notation for 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol?
The canonical SMILES for 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol is OCCCCCCNCc1ccccc1C(F)(F)F.
What is the InChIKey of 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol?
The InChIKey is FFJVQFFSNXQCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c15-14(16,17)13-8-4-3-7-12(13)11-18-9-5-1-2-6-10-19/h3-4,7-8,18-19H,1-2,5-6,9-11H2.
What are the key properties of 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol?
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol has a molecular weight of 275.31 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol is sourced from PubChem (CID 22006356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).