2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile

C16H22N2O — CID 107411817

IUPAC2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
SMILESCC1CCC(CNCc2ccccc2OCC#N)C1
InChIInChI=1S/C16H22N2O/c1-13-6-7-14(10-13)11-18-12-15-4-2-3-5-16(15)19-9-8-17/h2-5,13-14,18H,6-7,9-12H2,1H3
InChIKeyLSIAUZXYZMEILS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.11
Rot. Bonds6

About 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile

2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile (PubChem CID 107411817) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
PubChem CID107411817
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile
SMILESCC1CCC(CNCc2ccccc2OCC#N)C1
InChIInChI=1S/C16H22N2O/c1-13-6-7-14(10-13)11-18-12-15-4-2-3-5-16(15)19-9-8-17/h2-5,13-14,18H,6-7,9-12H2,1H3
InChIKeyLSIAUZXYZMEILS-UHFFFAOYSA-N
XLogP3.11
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(4-methylcyclohexyl)methylamino]methyl]phenoxy]acetonitrile
CID 63242767
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699782
2-[2-[(1,4-dioxan-2-ylmethylamino)methyl]phenoxy]acetonitrile
CID 54908924
4-[[2-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylbutanamide
CID 112731938
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
2-[2-[[(4-hydroxycyclohexyl)amino]methyl]phenoxy]acetonitrile
CID 43220626
2-[2-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetonitrile
CID 105414765
2-[[2-(cyanomethoxy)phenyl]methylamino]-N-propylacetamide
CID 43221379
1-cyclopropyl-N-[[2-(2-phenoxyethoxy)phenyl]methyl]methanamine
CID 54805017

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile (CID 107411817) is 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile is CC1CCC(CNCc2ccccc2OCC#N)C1.
What is the InChIKey of 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile?
The InChIKey is LSIAUZXYZMEILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-6-7-14(10-13)11-18-12-15-4-2-3-5-16(15)19-9-8-17/h2-5,13-14,18H,6-7,9-12H2,1H3.
What are the key properties of 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile?
2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile has a molecular weight of 258.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3-methylcyclopentyl)methylamino]methyl]phenoxy]acetonitrile is sourced from PubChem (CID 107411817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).