3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile

C13H15FN2O — CID 107118742

IUPAC3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(COC2CCC(N)C2)c1F
InChIInChI=1S/C13H15FN2O/c14-13-9(7-15)2-1-3-10(13)8-17-12-5-4-11(16)6-12/h1-3,11-12H,4-6,8,16H2
InChIKeyMOHKRDJZEGWMNP-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.09
Rot. Bonds3

About 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile

3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile (PubChem CID 107118742) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile
PubChem CID107118742
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile
SMILESN#Cc1cccc(COC2CCC(N)C2)c1F
InChIInChI=1S/C13H15FN2O/c14-13-9(7-15)2-1-3-10(13)8-17-12-5-4-11(16)6-12/h1-3,11-12H,4-6,8,16H2
InChIKeyMOHKRDJZEGWMNP-UHFFFAOYSA-N
XLogP2.09
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethoxymethyl)-2-fluorobenzonitrile
CID 107115085
3-(2-cyclobutylethoxymethyl)-2-fluorobenzonitrile
CID 106201634
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzonitrile
CID 107115121
3-[(cyclopropylmethylamino)methyl]-2-fluorobenzonitrile
CID 107114329
3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 107114252
2-(3-aminocyclopentyl)oxybenzonitrile
CID 79465196
3-(quinolin-8-ylmethoxy)cyclopentan-1-amine
CID 79465899
2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
CID 107118727
3-phenylmethoxycyclopentan-1-amine
CID 79421215
2-(cycloheptyloxymethyl)benzonitrile
CID 61069550
3-[(2,6-dichlorophenoxy)methyl]-2-fluorobenzonitrile
CID 107115182
2-fluoro-3-[[(4-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 107114585

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile?
The IUPAC name of 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile (CID 107118742) is 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile.
What is the SMILES notation for 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile?
The canonical SMILES for 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile is N#Cc1cccc(COC2CCC(N)C2)c1F.
What is the InChIKey of 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile?
The InChIKey is MOHKRDJZEGWMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-13-9(7-15)2-1-3-10(13)8-17-12-5-4-11(16)6-12/h1-3,11-12H,4-6,8,16H2.
What are the key properties of 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile?
3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentyl)oxymethyl]-2-fluorobenzonitrile is sourced from PubChem (CID 107118742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).