6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine

C16H24F3N — CID 116534361

IUPAC6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine
SMILESCCC(NC(C)CCCC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C16H24F3N/c1-4-15(14-9-7-12(2)8-10-14)20-13(3)6-5-11-16(17,18)19/h7-10,13,15,20H,4-6,11H2,1-3H3
InChIKeyCNLGIPCKXFXBSG-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.16
Rot. Bonds7

About 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine

6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine (PubChem CID 116534361) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine
PubChem CID116534361
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine
SMILESCCC(NC(C)CCCC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C16H24F3N/c1-4-15(14-9-7-12(2)8-10-14)20-13(3)6-5-11-16(17,18)19/h7-10,13,15,20H,4-6,11H2,1-3H3
InChIKeyCNLGIPCKXFXBSG-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
CID 116534570
N-[1-(4-methylphenyl)propyl]nonan-2-amine
CID 43714881
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine (CID 116534361) is 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine is CCC(NC(C)CCCC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine?
The InChIKey is CNLGIPCKXFXBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-4-15(14-9-7-12(2)8-10-14)20-13(3)6-5-11-16(17,18)19/h7-10,13,15,20H,4-6,11H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine?
6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine is sourced from PubChem (CID 116534361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).