3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile

C14H19FN2 — CID 114829727

IUPAC3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)Cc1ccccc1F
InChIInChI=1S/C14H19FN2/c1-3-13(8-9-16)17-11(2)10-12-6-4-5-7-14(12)15/h4-7,11,13,17H,3,8,10H2,1-2H3
InChIKeyXAFZDTJKWGAQCW-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.04
Rot. Bonds6

About 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile

3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile (PubChem CID 114829727) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
PubChem CID114829727
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)Cc1ccccc1F
InChIInChI=1S/C14H19FN2/c1-3-13(8-9-16)17-11(2)10-12-6-4-5-7-14(12)15/h4-7,11,13,17H,3,8,10H2,1-2H3
InChIKeyXAFZDTJKWGAQCW-UHFFFAOYSA-N
XLogP3.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 55142071
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
CID 113322888
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 114830832
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 115976612
3-[1-(2-fluorophenyl)ethylamino]butanenitrile
CID 61361823
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]pentanenitrile
CID 62647467
3-[[2-(trifluoromethyl)phenyl]methylamino]pentanenitrile
CID 62646391

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile?
The IUPAC name of 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile (CID 114829727) is 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile?
The canonical SMILES for 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile is CCC(CC#N)NC(C)Cc1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile?
The InChIKey is XAFZDTJKWGAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-3-13(8-9-16)17-11(2)10-12-6-4-5-7-14(12)15/h4-7,11,13,17H,3,8,10H2,1-2H3.
What are the key properties of 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile?
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile has a molecular weight of 234.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile is sourced from PubChem (CID 114829727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).