2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile

C17H24N2O — CID 63242767

IUPAC2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
SMILESCC1CCC(CNCc2ccccc2OCC#N)CC1
InChIInChI=1S/C17H24N2O/c1-14-6-8-15(9-7-14)12-19-13-16-4-2-3-5-17(16)20-11-10-18/h2-5,14-15,19H,6-9,11-13H2,1H3
InChIKeyAEUUHYLKPXBONI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.50
Rot. Bonds6

About 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile

2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile (PubChem CID 63242767) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
PubChem CID63242767
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
SMILESCC1CCC(CNCc2ccccc2OCC#N)CC1
InChIInChI=1S/C17H24N2O/c1-14-6-8-15(9-7-14)12-19-13-16-4-2-3-5-17(16)20-11-10-18/h2-5,14-15,19H,6-9,11-13H2,1H3
InChIKeyAEUUHYLKPXBONI-UHFFFAOYSA-N
XLogP3.50
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
CID 107411817
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
2-[2-[(1,4-dioxan-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54908924
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
2-[2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetonitrile
CID 105414765
2-fluoro-3-[[(4-methylcyclohexyl)methylamino]methyl]benzonitrile
CID 107114585
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
CID 43221379
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017
2-[2-[(2,3-dihydroxypropylamino)methyl]phenoxy]acetonitrile
CID 66176329
2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 62847895

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile (CID 63242767) is 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile is CC1CCC(CNCc2ccccc2OCC#N)CC1.
What is the InChIKey of 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile?
The InChIKey is AEUUHYLKPXBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14-6-8-15(9-7-14)12-19-13-16-4-2-3-5-17(16)20-11-10-18/h2-5,14-15,19H,6-9,11-13H2,1H3.
What are the key properties of 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile?
2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 63242767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).