3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile

C15H19FN2O — CID 106133058

IUPAC3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C15H19FN2O/c16-15-7-12(8-17)1-4-13(15)10-18-9-11-2-5-14(19)6-3-11/h1,4,7,11,14,18-19H,2-3,5-6,9-10H2
InChIKeyGXDAMHNBHKSHEB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.34
Rot. Bonds4

About 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile

3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile (PubChem CID 106133058) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
PubChem CID106133058
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCC2CCC(O)CC2)c(F)c1
InChIInChI=1S/C15H19FN2O/c16-15-7-12(8-17)1-4-13(15)10-18-9-11-2-5-14(19)6-3-11/h1,4,7,11,14,18-19H,2-3,5-6,9-10H2
InChIKeyGXDAMHNBHKSHEB-UHFFFAOYSA-N
XLogP2.34
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
3-[[(4-hydroxycyclohexyl)methylamino]methyl]-4-methoxybenzonitrile
CID 106133266
3-fluoro-4-[(oxolan-2-ylmethylamino)methyl]benzonitrile
CID 43199304
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
3-chloro-4-[[(3-hydroxycyclopentyl)methylamino]methyl]benzonitrile
CID 106129842
4-[(3-cyclopentylpropylamino)methyl]-3-fluorobenzonitrile
CID 103823344
4-[(2-aminoethylamino)methyl]-3-fluorobenzonitrile
CID 62140338
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
2-[(4-cyano-2-fluorophenyl)methylamino]acetamide
CID 28586696
3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 60924442
4-fluoro-3-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]benzonitrile
CID 60855431
4-[(2,2-dimethylpropylamino)methyl]-3-fluorobenzonitrile
CID 61167615

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile (CID 106133058) is 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile is N#Cc1ccc(CNCC2CCC(O)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
The InChIKey is GXDAMHNBHKSHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-15-7-12(8-17)1-4-13(15)10-18-9-11-2-5-14(19)6-3-11/h1,4,7,11,14,18-19H,2-3,5-6,9-10H2.
What are the key properties of 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile?
3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile has a molecular weight of 262.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 106133058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).