N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine

C15H22F3N — CID 63476565

IUPACN-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-8-12(5-2)19-11(3)13-9-6-7-10-14(13)15(16,17)18/h6-7,9-12,19H,4-5,8H2,1-3H3
InChIKeyMFLHUMQZQNSQFH-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.93
Rot. Bonds6

About N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine

N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine (PubChem CID 63476565) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
PubChem CID63476565
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC NameN-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H22F3N/c1-4-8-12(5-2)19-11(3)13-9-6-7-10-14(13)15(16,17)18/h6-7,9-12,19H,4-5,8H2,1-3H3
InChIKeyMFLHUMQZQNSQFH-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
CID 62647462
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080
4-methylsulfinyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 115893114
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
[2-methyl-1-[2-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105304834
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-4-amine
CID 81383471
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
N,3-dimethyl-1-[2-(trifluoromethyl)phenyl]hexan-1-amine
CID 115845337
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine?
The IUPAC name of N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine (CID 63476565) is N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine?
The canonical SMILES for N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine is CCCC(CC)NC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine?
The InChIKey is MFLHUMQZQNSQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-4-8-12(5-2)19-11(3)13-9-6-7-10-14(13)15(16,17)18/h6-7,9-12,19H,4-5,8H2,1-3H3.
What are the key properties of N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine?
N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine has a molecular weight of 273.34 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine is sourced from PubChem (CID 63476565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).