N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine

C16H24F3N — CID 115837166

IUPACN-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCCCCC(NCCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-3-5-6-7-15(20-12-4-2)13-8-10-14(11-9-13)16(17,18)19/h8-11,15,20H,3-7,12H2,1-2H3
InChIKeyHBGUAPUHVLZNSH-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.33
Rot. Bonds8

About N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine

N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine (PubChem CID 115837166) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
PubChem CID115837166
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC NameN-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine
SMILESCCCCCC(NCCC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N/c1-3-5-6-7-15(20-12-4-2)13-8-10-14(11-9-13)16(17,18)19/h8-11,15,20H,3-7,12H2,1-2H3
InChIKeyHBGUAPUHVLZNSH-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
N-propyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115832666
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
1-(4-ethoxyphenyl)-N-propyloctan-1-amine
CID 43495169
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
methyl 3-(propylamino)-3-[4-(trifluoromethyl)phenyl]propanoate
CID 65235964
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpentan-1-amine
CID 115832612
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
(1R)-1-[4-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171199061
1-(4-tert-butylphenyl)-N-propylhex-5-en-1-amine
CID 104986877
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine?
The IUPAC name of N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine (CID 115837166) is N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine.
What is the SMILES notation for N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine?
The canonical SMILES for N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine is CCCCCC(NCCC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine?
The InChIKey is HBGUAPUHVLZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-3-5-6-7-15(20-12-4-2)13-8-10-14(11-9-13)16(17,18)19/h8-11,15,20H,3-7,12H2,1-2H3.
What are the key properties of N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine?
N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[4-(trifluoromethyl)phenyl]hexan-1-amine is sourced from PubChem (CID 115837166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).