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

C15H22F3N — CID 116534570

IUPAC6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
SMILESCc1ccc(C(C)NC(C)CCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-11-6-8-14(9-7-11)13(3)19-12(2)5-4-10-15(16,17)18/h6-9,12-13,19H,4-5,10H2,1-3H3
InChIKeyQQYHVGFDEOAPCP-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.77
Rot. Bonds6

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

6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine (PubChem CID 116534570) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
PubChem CID116534570
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine
SMILESCc1ccc(C(C)NC(C)CCCC(F)(F)F)cc1
InChIInChI=1S/C15H22F3N/c1-11-6-8-14(9-7-11)13(3)19-12(2)5-4-10-15(16,17)18/h6-9,12-13,19H,4-5,10H2,1-3H3
InChIKeyQQYHVGFDEOAPCP-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,6-trifluoro-N-[1-(4-methylphenyl)propyl]hexan-2-amine
CID 116534361
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
6,6,6-trifluoro-N-(1-pyridin-3-ylethyl)hexan-2-amine
CID 116534097
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
4-[1-(heptan-2-ylamino)ethyl]phenol
CID 43572743
2-N-[1-(4-methylphenyl)ethyl]propane-1,2-diamine
CID 103389165
4-propan-2-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534013
4-[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 115494469
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
4-methoxy-4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-2-amine
CID 81349447

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine (CID 116534570) is 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine is Cc1ccc(C(C)NC(C)CCCC(F)(F)F)cc1.
What is the InChIKey of 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine?
The InChIKey is QQYHVGFDEOAPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-11-6-8-14(9-7-11)13(3)19-12(2)5-4-10-15(16,17)18/h6-9,12-13,19H,4-5,10H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[1-(4-methylphenyl)ethyl]hexan-2-amine has a molecular weight of 273.34 g/mol, XLogP of 4.77, 6 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)ethyl]hexan-2-amine is sourced from PubChem (CID 116534570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).