3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile

C14H20N2O2 — CID 103409785

IUPAC3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile
SMILESCOCCOCCCN(C)c1cccc(C#N)c1
InChIInChI=1S/C14H20N2O2/c1-16(7-4-8-18-10-9-17-2)14-6-3-5-13(11-14)12-15/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeySOCOQTWXLSHQCI-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds8

About 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile

3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile (PubChem CID 103409785) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile
PubChem CID103409785
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile
SMILESCOCCOCCCN(C)c1cccc(C#N)c1
InChIInChI=1S/C14H20N2O2/c1-16(7-4-8-18-10-9-17-2)14-6-3-5-13(11-14)12-15/h3,5-6,11H,4,7-10H2,1-2H3
InChIKeySOCOQTWXLSHQCI-UHFFFAOYSA-N
XLogP2.05
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-methoxyethoxy)propyl-methylamino]methyl]benzonitrile
CID 103409783
3-[methyl(4-phenylbutyl)amino]benzonitrile
CID 114333608
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]benzonitrile
CID 104563017
3-[3-ethylsulfonylpropyl(methyl)amino]benzonitrile
CID 65092958
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
3-[methyl-[3-(propylamino)propyl]amino]benzonitrile
CID 62982409
3-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 102815884
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
3-[methyl-[3-(oxolan-2-yl)propyl]amino]benzonitrile
CID 65161053
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
2-(3-cyano-N-methylanilino)-N-(3-methoxypropyl)propanamide
CID 62982263
3-[[methyl-[3-(2-phenylethoxy)propyl]amino]methyl]benzonitrile
CID 87013174

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile?
The IUPAC name of 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile (CID 103409785) is 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile is COCCOCCCN(C)c1cccc(C#N)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile?
The InChIKey is SOCOQTWXLSHQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16(7-4-8-18-10-9-17-2)14-6-3-5-13(11-14)12-15/h3,5-6,11H,4,7-10H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile?
3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propyl-methylamino]benzonitrile is sourced from PubChem (CID 103409785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).