2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile

C11H14N2O2 — CID 84757581

IUPAC2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
SMILESCN(CCO)C(C#N)c1cccc(O)c1
InChIInChI=1S/C11H14N2O2/c1-13(5-6-14)11(8-12)9-3-2-4-10(15)7-9/h2-4,7,11,14-15H,5-6H2,1H3
InChIKeyHFVZTXKAILMUEQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.88
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile

2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile (PubChem CID 84757581) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
PubChem CID84757581
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
SMILESCN(CCO)C(C#N)c1cccc(O)c1
InChIInChI=1S/C11H14N2O2/c1-13(5-6-14)11(8-12)9-3-2-4-10(15)7-9/h2-4,7,11,14-15H,5-6H2,1H3
InChIKeyHFVZTXKAILMUEQ-UHFFFAOYSA-N
XLogP0.88
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile (CID 84757581) is 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile is CN(CCO)C(C#N)c1cccc(O)c1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
The InChIKey is HFVZTXKAILMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13(5-6-14)11(8-12)9-3-2-4-10(15)7-9/h2-4,7,11,14-15H,5-6H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).