3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile

C14H17FN2 — CID 107418639

IUPAC3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
SMILESCC1CCCC1CNc1ccc(C#N)cc1F
InChIInChI=1S/C14H17FN2/c1-10-3-2-4-12(10)9-17-14-6-5-11(8-16)7-13(14)15/h5-7,10,12,17H,2-4,9H2,1H3
InChIKeyVNZZWPIQTTUFKG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.55
Rot. Bonds3

About 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile

3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile (PubChem CID 107418639) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
PubChem CID107418639
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
SMILESCC1CCCC1CNc1ccc(C#N)cc1F
InChIInChI=1S/C14H17FN2/c1-10-3-2-4-12(10)9-17-14-6-5-11(8-16)7-13(14)15/h5-7,10,12,17H,2-4,9H2,1H3
InChIKeyVNZZWPIQTTUFKG-UHFFFAOYSA-N
XLogP3.55
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylcyclopentyl)methylamino]-3-nitrobenzonitrile
CID 107419187
4-(2-bicyclo[2.2.1]heptanylmethylamino)-3-fluorobenzonitrile
CID 62733661
4-fluoro-3-[[(2-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107418224
3-fluoro-4-[3-(2-hydroxycyclohexyl)propylamino]benzonitrile
CID 133384912
3-fluoro-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]benzonitrile
CID 65118368
3-fluoro-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 63511861
3-bromo-5-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418671
3-fluoro-4-(oxolan-3-ylmethylamino)benzonitrile
CID 61040182
4-(1-cyclobutylethylamino)-3-fluorobenzonitrile
CID 115766674
3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107418667
3-fluoro-4-[2-(1-methylpiperidin-4-yl)ethylamino]benzonitrile
CID 114515804

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
The IUPAC name of 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile (CID 107418639) is 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
The canonical SMILES for 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile is CC1CCCC1CNc1ccc(C#N)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
The InChIKey is VNZZWPIQTTUFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10-3-2-4-12(10)9-17-14-6-5-11(8-16)7-13(14)15/h5-7,10,12,17H,2-4,9H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile?
3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile is sourced from PubChem (CID 107418639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).