5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile

C14H20N2O2 — CID 65344165

IUPAC5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCN(CCOC)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H20N2O2/c1-4-16(7-8-17-2)11-12-5-6-14(18-3)13(9-12)10-15/h5-6,9H,4,7-8,11H2,1-3H3
InChIKeyOTBXBZQWWZGJFC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds7

About 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile

5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65344165) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65344165
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCN(CCOC)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H20N2O2/c1-4-16(7-8-17-2)11-12-5-6-14(18-3)13(9-12)10-15/h5-6,9H,4,7-8,11H2,1-3H3
InChIKeyOTBXBZQWWZGJFC-UHFFFAOYSA-N
XLogP2.04
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[ethyl(2-methoxyethyl)amino]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

2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787949
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
2-tert-butyl-5-[[ethyl(2-methoxyethyl)amino]methyl]pyridine-3-carbonitrile
CID 59848727
methyl 3-[(4-cyano-3-methoxyphenyl)methyl-ethylamino]propanoate
CID 106793293
2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
3-[5-[[2-ethoxyethyl(ethyl)amino]methyl]-2-methoxyphenyl]prop-2-yn-1-amine
CID 63691204
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile (CID 65344165) is 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile is CCN(CCOC)Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is OTBXBZQWWZGJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-16(7-8-17-2)11-12-5-6-14(18-3)13(9-12)10-15/h5-6,9H,4,7-8,11H2,1-3H3.
What are the key properties of 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).