6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol

C13H19F3N2O — CID 107843932

IUPAC6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
SMILESNc1ccc(NCCCCCCO)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)11-9-10(17)5-6-12(11)18-7-3-1-2-4-8-19/h5-6,9,18-19H,1-4,7-8,17H2
InChIKeyIVCYLFMNSFRKOW-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.25
Rot. Bonds7

About 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol

6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol (PubChem CID 107843932) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol.

Molecular Properties

Compound Name6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
PubChem CID107843932
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
SMILESNc1ccc(NCCCCCCO)c(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)11-9-10(17)5-6-12(11)18-7-3-1-2-4-8-19/h5-6,9,18-19H,1-4,7-8,17H2
InChIKeyIVCYLFMNSFRKOW-UHFFFAOYSA-N
XLogP3.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
CID 14793683
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
1-N-pent-4-enyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 114264599
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
CID 54935805
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
4-[5-bromo-2-(trifluoromethyl)anilino]butan-1-ol
CID 107286675
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829
5-(2-amino-4-fluoroanilino)pentan-1-ol
CID 107316402
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200

Frequently Asked Questions

What is the IUPAC name of 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol?
The IUPAC name of 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol (CID 107843932) is 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol.
What is the SMILES notation for 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol?
The canonical SMILES for 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol is Nc1ccc(NCCCCCCO)c(C(F)(F)F)c1.
What is the InChIKey of 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol?
The InChIKey is IVCYLFMNSFRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)11-9-10(17)5-6-12(11)18-7-3-1-2-4-8-19/h5-6,9,18-19H,1-4,7-8,17H2.
What are the key properties of 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol?
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol is sourced from PubChem (CID 107843932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).