3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile

C12H16N2O2 — CID 156774848

IUPAC3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile
SMILESCOc1ccccc1N(CCO)CCC#N
InChIInChI=1S/C12H16N2O2/c1-16-12-6-3-2-5-11(12)14(9-10-15)8-4-7-13/h2-3,5-6,15H,4,8-10H2,1H3
InChIKeyFNKNASMHEHJRPX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.41
Rot. Bonds6

About 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile

3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile (PubChem CID 156774848) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile.

Molecular Properties

Compound Name3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile
PubChem CID156774848
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile
SMILESCOc1ccccc1N(CCO)CCC#N
InChIInChI=1S/C12H16N2O2/c1-16-12-6-3-2-5-11(12)14(9-10-15)8-4-7-13/h2-3,5-6,15H,4,8-10H2,1H3
InChIKeyFNKNASMHEHJRPX-UHFFFAOYSA-N
XLogP1.41
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-(2-cyanoethyl)-2-methoxy-5-methylanilino]propanenitrile
CID 21455630
2-[2-cyanoethyl(ethyl)amino]benzoic acid
CID 55125536
2-[bis(2-cyanoethyl)amino]benzonitrile
CID 59557664
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453
N,N-dihexyl-2-methoxyaniline
CID 59373144
2-[N-(2-hydroxyethyl)-2-methoxy-4-methylanilino]ethanol
CID 163824438
1-(2-cyanoethyl)-3-(2,6-diethylphenyl)-1-(2-methoxyphenyl)thiourea
CID 23821632
[2-[acetyl(2-cyanoethyl)amino]phenyl] acetate
CID 12885898
3-[2-(chloromethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 63285124
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
3-[3-chloro-2-(hydroxymethyl)-N-(2-methoxyethyl)anilino]propanenitrile
CID 55173059
3-[[2-amino-1-(2-methoxyphenyl)propyl]-methylamino]propanenitrile
CID 55022271

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile?
The IUPAC name of 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile (CID 156774848) is 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile.
What is the SMILES notation for 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile?
The canonical SMILES for 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile is COc1ccccc1N(CCO)CCC#N.
What is the InChIKey of 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile?
The InChIKey is FNKNASMHEHJRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12-6-3-2-5-11(12)14(9-10-15)8-4-7-13/h2-3,5-6,15H,4,8-10H2,1H3.
What are the key properties of 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile?
3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile has a molecular weight of 220.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-hydroxyethyl)-2-methoxyanilino]propanenitrile is sourced from PubChem (CID 156774848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).