2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

C13H15FN2 — CID 107114810

IUPAC2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1CC1CNCc1cccc(C#N)c1F
InChIInChI=1S/C13H15FN2/c1-9-5-12(9)8-16-7-11-4-2-3-10(6-15)13(11)14/h2-4,9,12,16H,5,7-8H2,1H3
InChIKeyCMGPULFUZBOEJF-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (PubChem CID 107114810) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
PubChem CID107114810
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1CC1CNCc1cccc(C#N)c1F
InChIInChI=1S/C13H15FN2/c1-9-5-12(9)8-16-7-11-4-2-3-10(6-15)13(11)14/h2-4,9,12,16H,5,7-8H2,1H3
InChIKeyCMGPULFUZBOEJF-UHFFFAOYSA-N
XLogP2.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
2-fluoro-3-[[(4-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 107114585
2-fluoro-3-[[(3-hydroxycyclobutyl)methylamino]methyl]benzonitrile
CID 107114660
2-[[(3-cyano-2-fluorophenyl)methylamino]methyl]cyclopentane-1-carboxylic acid
CID 107118828
3-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-2-fluorobenzonitrile
CID 107114601
3-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107114649
2-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 114017972
2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107880435
3-[(2-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 107114440
2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
CID 107114671
3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531
3-[(2,2-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107114880

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (CID 107114810) is 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is CC1CC1CNCc1cccc(C#N)c1F.
What is the InChIKey of 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The InChIKey is CMGPULFUZBOEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-5-12(9)8-16-7-11-4-2-3-10(6-15)13(11)14/h2-4,9,12,16H,5,7-8H2,1H3.
What are the key properties of 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile has a molecular weight of 218.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 107114810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).