2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile

C12H16N2O2 — CID 81299044

IUPAC2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile
SMILESCCN(CCO)c1cc(OC)ccc1C#N
InChIInChI=1S/C12H16N2O2/c1-3-14(6-7-15)12-8-11(16-2)5-4-10(12)9-13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyHTRKJDLUALLMCL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile

2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile (PubChem CID 81299044) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile
PubChem CID81299044
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile
SMILESCCN(CCO)c1cc(OC)ccc1C#N
InChIInChI=1S/C12H16N2O2/c1-3-14(6-7-15)12-8-11(16-2)5-4-10(12)9-13/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyHTRKJDLUALLMCL-UHFFFAOYSA-N
XLogP1.39
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-cyano-5-methoxy-N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 81296575
2-[(3-aminophenyl)methyl-ethylamino]-4-methoxybenzonitrile
CID 81300526
2-(N-ethyl-3-hydroxyanilino)-4-methoxybenzonitrile
CID 107735253
2-amino-3-[ethyl(2-hydroxyethyl)amino]benzonitrile
CID 104716390
methyl 2-(2-cyano-5-methoxy-N-methylanilino)acetate
CID 81299754
4-methoxy-2-[methyl(1-methylsulfanylpropan-2-yl)amino]benzonitrile
CID 112659544
2-(N-butan-2-yl-2-cyano-5-methoxyanilino)acetic acid
CID 81299462
4-methoxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 81306441
4-chloro-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 55226350
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
CID 107479568
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
CID 81304710
2-[(4-fluorophenyl)methyl-methylamino]-4-methoxybenzonitrile
CID 81299238

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile (CID 81299044) is 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile is CCN(CCO)c1cc(OC)ccc1C#N.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile?
The InChIKey is HTRKJDLUALLMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14(6-7-15)12-8-11(16-2)5-4-10(12)9-13/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile?
2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile is sourced from PubChem (CID 81299044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).