3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile

C14H17F3N2 — CID 62647462

IUPAC3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2/c1-3-11(8-9-18)19-10(2)12-6-4-5-7-13(12)14(15,16)17/h4-7,10-11,19H,3,8H2,1-2H3
InChIKeyLTFQSIMJKKLCLF-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.05
Rot. Bonds5

About 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile

3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile (PubChem CID 62647462) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
PubChem CID62647462
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2/c1-3-11(8-9-18)19-10(2)12-6-4-5-7-13(12)14(15,16)17/h4-7,10-11,19H,3,8H2,1-2H3
InChIKeyLTFQSIMJKKLCLF-UHFFFAOYSA-N
XLogP4.05
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(trifluoromethyl)phenyl]ethyl]hexan-3-amine
CID 63476565
3-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentanenitrile
CID 81383586
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
3-[[2-(trifluoromethyl)phenyl]methylamino]pentanenitrile
CID 62646391
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823
3,4-dihydroxy-4-[2-(trifluoromethyl)phenyl]butanenitrile
CID 171901212
4-methylsulfinyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 115893114
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile?
The IUPAC name of 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile (CID 62647462) is 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile.
What is the SMILES notation for 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile?
The canonical SMILES for 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile is CCC(CC#N)NC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile?
The InChIKey is LTFQSIMJKKLCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-3-11(8-9-18)19-10(2)12-6-4-5-7-13(12)14(15,16)17/h4-7,10-11,19H,3,8H2,1-2H3.
What are the key properties of 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile?
3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile has a molecular weight of 270.30 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(trifluoromethyl)phenyl]ethylamino]pentanenitrile is sourced from PubChem (CID 62647462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).