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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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).