2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile

C17H24N2O — CID 65343972

IUPAC2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
SMILESCOc1ccc(CN(C)C2CCC(C)CC2)cc1C#N
InChIInChI=1S/C17H24N2O/c1-13-4-7-16(8-5-13)19(2)12-14-6-9-17(20-3)15(10-14)11-18/h6,9-10,13,16H,4-5,7-8,12H2,1-3H3
InChIKeyDSPPVUUIKCNVTQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.58
Rot. Bonds4

About 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile

2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile (PubChem CID 65343972) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
PubChem CID65343972
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
SMILESCOc1ccc(CN(C)C2CCC(C)CC2)cc1C#N
InChIInChI=1S/C17H24N2O/c1-13-4-7-16(8-5-13)19(2)12-14-6-9-17(20-3)15(10-14)11-18/h6,9-10,13,16H,4-5,7-8,12H2,1-3H3
InChIKeyDSPPVUUIKCNVTQ-UHFFFAOYSA-N
XLogP3.58
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
CID 106788101
2-[(3-cyano-4-methoxyphenyl)methyl-cyclopropylamino]acetic acid
CID 65340637
4-[[butyl(cyclopropyl)amino]methyl]-2-methoxybenzonitrile
CID 106788095
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
CID 103699184
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile (CID 65343972) is 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile is COc1ccc(CN(C)C2CCC(C)CC2)cc1C#N.
What is the InChIKey of 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile?
The InChIKey is DSPPVUUIKCNVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-4-7-16(8-5-13)19(2)12-14-6-9-17(20-3)15(10-14)11-18/h6,9-10,13,16H,4-5,7-8,12H2,1-3H3.
What are the key properties of 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile?
2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile has a molecular weight of 272.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile is sourced from PubChem (CID 65343972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).