2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile

C14H17FN2O — CID 107114541

IUPAC2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
SMILESCOC1CCCC1NCc1cccc(C#N)c1F
InChIInChI=1S/C14H17FN2O/c1-18-13-7-3-6-12(13)17-9-11-5-2-4-10(8-16)14(11)15/h2,4-5,12-13,17H,3,6-7,9H2,1H3
InChIKeyBRWZSEKVKJTXMG-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.35
Rot. Bonds4

About 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile

2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile (PubChem CID 107114541) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
PubChem CID107114541
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile
SMILESCOC1CCCC1NCc1cccc(C#N)c1F
InChIInChI=1S/C14H17FN2O/c1-18-13-7-3-6-12(13)17-9-11-5-2-4-10(8-16)14(11)15/h2,4-5,12-13,17H,3,6-7,9H2,1H3
InChIKeyBRWZSEKVKJTXMG-UHFFFAOYSA-N
XLogP2.35
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[[(2-hydroxycycloheptyl)amino]methyl]benzonitrile
CID 107114776
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
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2-fluoro-3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzonitrile
CID 107114671
3-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 103580964
3-[[(2,2-dimethylcyclopropyl)amino]methyl]-2-fluorobenzonitrile
CID 107114531
2-fluoro-3-[[(4-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 107114585
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)cyclopentan-1-amine
CID 104557485
2-amino-3-[(2-methoxycyclopentyl)amino]benzonitrile
CID 113444746
3-[(1-cyclopentylethylamino)methyl]-2-fluorobenzonitrile
CID 104579614
5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909
2-fluoro-3-[[(1-propylpiperidin-4-yl)amino]methyl]benzonitrile
CID 107114501

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile (CID 107114541) is 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile is COC1CCCC1NCc1cccc(C#N)c1F.
What is the InChIKey of 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile?
The InChIKey is BRWZSEKVKJTXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-18-13-7-3-6-12(13)17-9-11-5-2-4-10(8-16)14(11)15/h2,4-5,12-13,17H,3,6-7,9H2,1H3.
What are the key properties of 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile?
2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile has a molecular weight of 248.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[(2-methoxycyclopentyl)amino]methyl]benzonitrile is sourced from PubChem (CID 107114541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).