3-(N-ethyl-3-methoxyanilino)propanenitrile

C12H16N2O — CID 53425340

IUPAC3-(N-ethyl-3-methoxyanilino)propanenitrile
SMILESCCN(CCC#N)c1cccc(OC)c1
InChIInChI=1S/C12H16N2O/c1-3-14(9-5-8-13)11-6-4-7-12(10-11)15-2/h4,6-7,10H,3,5,9H2,1-2H3
InChIKeyCSFCDDMOWQOFGU-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.44
Rot. Bonds5

About 3-(N-ethyl-3-methoxyanilino)propanenitrile

3-(N-ethyl-3-methoxyanilino)propanenitrile (PubChem CID 53425340) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(N-ethyl-3-methoxyanilino)propanenitrile.

Molecular Properties

Compound Name3-(N-ethyl-3-methoxyanilino)propanenitrile
PubChem CID53425340
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(N-ethyl-3-methoxyanilino)propanenitrile
SMILESCCN(CCC#N)c1cccc(OC)c1
InChIInChI=1S/C12H16N2O/c1-3-14(9-5-8-13)11-6-4-7-12(10-11)15-2/h4,6-7,10H,3,5,9H2,1-2H3
InChIKeyCSFCDDMOWQOFGU-UHFFFAOYSA-N
XLogP2.44
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-(2-cyanoethyl)-3-methoxyanilino]propanenitrile
CID 4243106
3-[N-[2-(3-methoxyphenyl)ethyl]anilino]propanenitrile
CID 20552649
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993
[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium
CID 7775050
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
CID 54550055
chloro-(3-methoxyphenyl)cyanamide
CID 154075704
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
2-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 62944335

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-methoxyanilino)propanenitrile?
The IUPAC name of 3-(N-ethyl-3-methoxyanilino)propanenitrile (CID 53425340) is 3-(N-ethyl-3-methoxyanilino)propanenitrile.
What is the SMILES notation for 3-(N-ethyl-3-methoxyanilino)propanenitrile?
The canonical SMILES for 3-(N-ethyl-3-methoxyanilino)propanenitrile is CCN(CCC#N)c1cccc(OC)c1.
What is the InChIKey of 3-(N-ethyl-3-methoxyanilino)propanenitrile?
The InChIKey is CSFCDDMOWQOFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14(9-5-8-13)11-6-4-7-12(10-11)15-2/h4,6-7,10H,3,5,9H2,1-2H3.
What are the key properties of 3-(N-ethyl-3-methoxyanilino)propanenitrile?
3-(N-ethyl-3-methoxyanilino)propanenitrile has a molecular weight of 204.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-methoxyanilino)propanenitrile is sourced from PubChem (CID 53425340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).