2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile

C11H13FN2 — CID 82075721

IUPAC2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile
SMILESCN(C)C(C#N)Cc1ccccc1F
InChIInChI=1S/C11H13FN2/c1-14(2)10(8-13)7-9-5-3-4-6-11(9)12/h3-6,10H,7H2,1-2H3
InChIKeyZAYWHKKDESPGQS-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.82
Rot. Bonds3

About 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile

2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile (PubChem CID 82075721) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile
PubChem CID82075721
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile
SMILESCN(C)C(C#N)Cc1ccccc1F
InChIInChI=1S/C11H13FN2/c1-14(2)10(8-13)7-9-5-3-4-6-11(9)12/h3-6,10H,7H2,1-2H3
InChIKeyZAYWHKKDESPGQS-UHFFFAOYSA-N
XLogP1.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(2-fluorophenyl)propanenitrile
CID 82503559
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
methyl 2-cyano-3-(2-fluorophenyl)propanoate
CID 70700074
2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254701
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
1-fluoro-2-(2-isocyanatopropyl)benzene
CID 55268813
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 114829727
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
1-(2-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053079
2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
CID 82074886
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726
4-[2-(2-fluorophenyl)-1-hydroxyethyl]benzonitrile
CID 115480843

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile?
The IUPAC name of 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile (CID 82075721) is 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile.
What is the SMILES notation for 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile?
The canonical SMILES for 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile is CN(C)C(C#N)Cc1ccccc1F.
What is the InChIKey of 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile?
The InChIKey is ZAYWHKKDESPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-14(2)10(8-13)7-9-5-3-4-6-11(9)12/h3-6,10H,7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile?
2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile has a molecular weight of 192.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-(2-fluorophenyl)propanenitrile is sourced from PubChem (CID 82075721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).