2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile

C17H24N2O — CID 106787316

IUPAC2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
SMILESCOc1cc(CNCC2CCCCC2C)ccc1C#N
InChIInChI=1S/C17H24N2O/c1-13-5-3-4-6-16(13)12-19-11-14-7-8-15(10-18)17(9-14)20-2/h7-9,13,16,19H,3-6,11-12H2,1-2H3
InChIKeyRTJNDLFLIDZERP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.48
Rot. Bonds5

About 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile

2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile (PubChem CID 106787316) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
PubChem CID106787316
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile
SMILESCOc1cc(CNCC2CCCCC2C)ccc1C#N
InChIInChI=1S/C17H24N2O/c1-13-5-3-4-6-16(13)12-19-11-14-7-8-15(10-18)17(9-14)20-2/h7-9,13,16,19H,3-6,11-12H2,1-2H3
InChIKeyRTJNDLFLIDZERP-UHFFFAOYSA-N
XLogP3.48
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787494
2-methoxy-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115652162
2-methoxy-5-[[(2-methylcyclohexyl)methylamino]methyl]phenol
CID 55013429
4-[[(3-hydroxycyclopentyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106129848
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
CID 106787528
4-[[(4-cyanophenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787146
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787482
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
4-[(1,4-dioxan-2-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787175
2-methoxy-4-[(2-methylsulfanylethylamino)methyl]benzonitrile
CID 106787515
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile (CID 106787316) is 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile is COc1cc(CNCC2CCCCC2C)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile?
The InChIKey is RTJNDLFLIDZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-5-3-4-6-16(13)12-19-11-14-7-8-15(10-18)17(9-14)20-2/h7-9,13,16,19H,3-6,11-12H2,1-2H3.
What are the key properties of 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile?
2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(2-methylcyclohexyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 106787316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).