2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile

C14H17FN2O — CID 114014532

IUPAC2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COC1CCCCC1N
InChIInChI=1S/C14H17FN2O/c15-12-6-5-10(8-16)11(7-12)9-18-14-4-2-1-3-13(14)17/h5-7,13-14H,1-4,9,17H2
InChIKeyFJMBEVYZKODKCM-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.48
Rot. Bonds3

About 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile

2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile (PubChem CID 114014532) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile
PubChem CID114014532
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1COC1CCCCC1N
InChIInChI=1S/C14H17FN2O/c15-12-6-5-10(8-16)11(7-12)9-18-14-4-2-1-3-13(14)17/h5-7,13-14H,1-4,9,17H2
InChIKeyFJMBEVYZKODKCM-UHFFFAOYSA-N
XLogP2.48
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(oxolan-3-yloxymethyl)benzonitrile
CID 107903450
2-[[3-(aminomethyl)cyclobutyl]oxymethyl]-4-fluorobenzonitrile
CID 114014529
2-[(3-fluorophenyl)methoxy]cycloheptan-1-amine
CID 113395242
2-(2-cyclopropylethoxymethyl)-4-fluorobenzonitrile
CID 106201262
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846
4-fluoro-2-(propan-2-yloxymethyl)benzonitrile
CID 107903297
2-(bromomethyl)-4-fluorobenzonitrile;ethane
CID 144867775
2-(cyclohexylsulfonylmethyl)-4-fluorobenzonitrile
CID 107909308
2-[[2-(aminomethyl)-3-methylpiperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 64765757
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
CID 107902761
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzonitrile
CID 103760279

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile (CID 114014532) is 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1COC1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile?
The InChIKey is FJMBEVYZKODKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-12-6-5-10(8-16)11(7-12)9-18-14-4-2-1-3-13(14)17/h5-7,13-14H,1-4,9,17H2.
What are the key properties of 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile?
2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile has a molecular weight of 248.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)oxymethyl]-4-fluorobenzonitrile is sourced from PubChem (CID 114014532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).