4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile

C15H19N3O2 — CID 106787949

IUPAC4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
SMILESCOCCN(CCC#N)Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C15H19N3O2/c1-19-9-8-18(7-3-6-16)12-13-4-5-14(11-17)15(10-13)20-2/h4-5,10H,3,7-9,12H2,1-2H3
InChIKeyHZKHRBJGJDXOFM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.93
Rot. Bonds8

About 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile

4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 106787949) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
PubChem CID106787949
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
SMILESCOCCN(CCC#N)Cc1ccc(C#N)c(OC)c1
InChIInChI=1S/C15H19N3O2/c1-19-9-8-18(7-3-6-16)12-13-4-5-14(11-17)15(10-13)20-2/h4-5,10H,3,7-9,12H2,1-2H3
InChIKeyHZKHRBJGJDXOFM-UHFFFAOYSA-N
XLogP1.93
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-cyanoethyl(2-methylpropyl)amino]methyl]-2-methoxybenzonitrile
CID 106787943
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
3-[(3-amino-4-hydroxyphenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63284896
3-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 71986659
2-[4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105346010
2-[(4-cyano-3-methoxyphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 106788123
methyl 3-[(4-cyano-3-methoxyphenyl)methyl-ethylamino]propanoate
CID 106793293
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
2-[(4-cyano-3-methoxyphenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425994
4-(iodomethyl)-2-methoxybenzonitrile
CID 106794525
3-[(3-amino-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 112646163
4-[[bis(2-methoxyethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788772

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile (CID 106787949) is 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile is COCCN(CCC#N)Cc1ccc(C#N)c(OC)c1.
What is the InChIKey of 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is HZKHRBJGJDXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-9-8-18(7-3-6-16)12-13-4-5-14(11-17)15(10-13)20-2/h4-5,10H,3,7-9,12H2,1-2H3.
What are the key properties of 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile?
4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 273.34 g/mol, XLogP of 1.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106787949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).