2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

C13H15FN2 — CID 107880435

IUPAC2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1CC1CNCc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H15FN2/c1-9-4-12(9)8-16-7-10-2-3-13(14)11(5-10)6-15/h2-3,5,9,12,16H,4,7-8H2,1H3
InChIKeyZMOOUABCXKVYNZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.44
Rot. Bonds4

About 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile

2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (PubChem CID 107880435) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
PubChem CID107880435
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
SMILESCC1CC1CNCc1ccc(F)c(C#N)c1
InChIInChI=1S/C13H15FN2/c1-9-4-12(9)8-16-7-10-2-3-13(14)11(5-10)6-15/h2-3,5,9,12,16H,4,7-8H2,1H3
InChIKeyZMOOUABCXKVYNZ-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

2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
2-fluoro-5-[[2-(3-methylcyclohexyl)ethylamino]methyl]benzonitrile
CID 107880249
5-[(2-cyclopropylethylamino)methyl]-2-fluorobenzonitrile
CID 107880286
2-fluoro-3-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107114810
5-[(3,3-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107880474
5-[(3-cyclopropylpropylamino)methyl]-2-fluorobenzonitrile
CID 114012165
5-[2-(ethylaminomethyl)cyclopropyl]-2-fluorobenzonitrile
CID 107936744
5-[(2,2-dimethylbutylamino)methyl]-2-fluorobenzonitrile
CID 107880595
2-fluoro-5-[(pent-3-ynylamino)methyl]benzonitrile
CID 107880493
5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-2-fluorobenzonitrile
CID 106251658
5-[(2,2-dimethylhydrazinyl)methyl]-2-fluorobenzonitrile
CID 107880389

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile (CID 107880435) is 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is CC1CC1CNCc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
The InChIKey is ZMOOUABCXKVYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-9-4-12(9)8-16-7-10-2-3-13(14)11(5-10)6-15/h2-3,5,9,12,16H,4,7-8H2,1H3.
What are the key properties of 2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile?
2-fluoro-5-[[(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-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 107880435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).