3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile

C14H19FN2 — CID 55142071

IUPAC3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c1-3-14(8-9-16)17-11(2)10-12-4-6-13(15)7-5-12/h4-7,11,14,17H,3,8,10H2,1-2H3
InChIKeyKJIBGZSVATVYHX-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.04
Rot. Bonds6

About 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile

3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile (PubChem CID 55142071) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
PubChem CID55142071
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
SMILESCCC(CC#N)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c1-3-14(8-9-16)17-11(2)10-12-4-6-13(15)7-5-12/h4-7,11,14,17H,3,8,10H2,1-2H3
InChIKeyKJIBGZSVATVYHX-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-hydroxyphenyl)propan-2-ylamino]pentanenitrile
CID 113322888
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 114829727
3-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]pentanenitrile
CID 62647467
N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 103910959
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
CID 114829888
N-[1-(3-fluorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 113262082
3-[1-(4-ethylphenyl)propylamino]pentanenitrile
CID 62648007
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
3-[1-(4-butylphenyl)ethylamino]pentanenitrile
CID 62648001
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile?
The IUPAC name of 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile (CID 55142071) is 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile?
The canonical SMILES for 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile is CCC(CC#N)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile?
The InChIKey is KJIBGZSVATVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-3-14(8-9-16)17-11(2)10-12-4-6-13(15)7-5-12/h4-7,11,14,17H,3,8,10H2,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile?
3-[1-(4-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-(4-fluorophenyl)propan-2-ylamino]pentanenitrile is sourced from PubChem (CID 55142071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).