4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile

C18H26N2O — CID 106788101

IUPAC4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
SMILESCCC1CCC(N(C)Cc2ccc(C#N)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O/c1-4-14-6-9-17(10-7-14)20(2)13-15-5-8-16(12-19)18(11-15)21-3/h5,8,11,14,17H,4,6-7,9-10,13H2,1-3H3
InChIKeyXQJFYKWJPMDWKR-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.97
Rot. Bonds5

About 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile

4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile (PubChem CID 106788101) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
PubChem CID106788101
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
SMILESCCC1CCC(N(C)Cc2ccc(C#N)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O/c1-4-14-6-9-17(10-7-14)20(2)13-15-5-8-16(12-19)18(11-15)21-3/h5,8,11,14,17H,4,6-7,9-10,13H2,1-3H3
InChIKeyXQJFYKWJPMDWKR-UHFFFAOYSA-N
XLogP3.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
CID 65343972
4-[[butyl(cyclopropyl)amino]methyl]-2-methoxybenzonitrile
CID 106788095
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 106788229
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 106792478
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788214
4-(iodomethyl)-2-methoxybenzonitrile
CID 106794525
2-methoxy-4-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106792877
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106788307
2-methoxy-4-(pyrrolidin-3-ylmethoxymethyl)benzonitrile
CID 106792418

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile (CID 106788101) is 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile is CCC1CCC(N(C)Cc2ccc(C#N)c(OC)c2)CC1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile?
The InChIKey is XQJFYKWJPMDWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-14-6-9-17(10-7-14)20(2)13-15-5-8-16(12-19)18(11-15)21-3/h5,8,11,14,17H,4,6-7,9-10,13H2,1-3H3.
What are the key properties of 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile?
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106788101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).