3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile

C11H13FN2 — CID 114831782

IUPAC3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)Cc1ccccc1F
InChIInChI=1S/C11H13FN2/c1-11(8-13,14-2)7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3
InChIKeyRXPAPESVAYYXIP-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.87
Rot. Bonds3

About 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile

3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile (PubChem CID 114831782) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
PubChem CID114831782
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)Cc1ccccc1F
InChIInChI=1S/C11H13FN2/c1-11(8-13,14-2)7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3
InChIKeyRXPAPESVAYYXIP-UHFFFAOYSA-N
XLogP1.87
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
CID 114831787
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
CID 75532046
methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565
3-(2-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 62724113
4-(2,6-difluorophenoxy)-2-methyl-2-(methylamino)butanenitrile
CID 81269482
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
3-(2-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile
CID 82090543
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248609
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-[(2-fluorophenyl)methyl]-3-oxo-2-phenylbutanenitrile
CID 66431752

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile (CID 114831782) is 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile is CNC(C)(C#N)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is RXPAPESVAYYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-11(8-13,14-2)7-9-5-3-4-6-10(9)12/h3-6,14H,7H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile?
3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 192.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 114831782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).