2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile

C14H20N2O2 — CID 39161264

IUPAC2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
SMILESCOCCN(CCOC)Cc1ccccc1C#N
InChIInChI=1S/C14H20N2O2/c1-17-9-7-16(8-10-18-2)12-14-6-4-3-5-13(14)11-15/h3-6H,7-10,12H2,1-2H3
InChIKeyYAIHPUFWJJRNSC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.65
Rot. Bonds8

About 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile

2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile (PubChem CID 39161264) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
PubChem CID39161264
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile
SMILESCOCCN(CCOC)Cc1ccccc1C#N
InChIInChI=1S/C14H20N2O2/c1-17-9-7-16(8-10-18-2)12-14-6-4-3-5-13(14)11-15/h3-6H,7-10,12H2,1-2H3
InChIKeyYAIHPUFWJJRNSC-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyanophenyl)methyl-(2-methoxyethyl)amino]propanoic acid
CID 82327928
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-methoxy-N-(2-methoxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 78807389
3-[(2-cyanophenyl)methyl-propylamino]propanoic acid
CID 82327915
2-[[bis(2-methoxyethyl)amino]methyl]indolizine-1-carbonitrile
CID 134011008
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
CID 62436682
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
2-[2-(2-methoxyethylamino)ethyl]benzonitrile
CID 107937029
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
3-[(2-fluoro-3-nitrophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 107348317

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile?
The IUPAC name of 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile (CID 39161264) is 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile?
The canonical SMILES for 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile is COCCN(CCOC)Cc1ccccc1C#N.
What is the InChIKey of 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile?
The InChIKey is YAIHPUFWJJRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-9-7-16(8-10-18-2)12-14-6-4-3-5-13(14)11-15/h3-6H,7-10,12H2,1-2H3.
What are the key properties of 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile?
2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile has a molecular weight of 248.33 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-methoxyethyl)amino]methyl]benzonitrile is sourced from PubChem (CID 39161264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).