2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile

C11H14N2O — CID 43114978

IUPAC2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
SMILESCCOc1ccccc1C(C#N)NC
InChIInChI=1S/C11H14N2O/c1-3-14-11-7-5-4-6-9(11)10(8-12)13-2/h4-7,10,13H,3H2,1-2H3
InChIKeyNWGPAHVPSABPSV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile

2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile (PubChem CID 43114978) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
PubChem CID43114978
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
SMILESCCOc1ccccc1C(C#N)NC
InChIInChI=1S/C11H14N2O/c1-3-14-11-7-5-4-6-9(11)10(8-12)13-2/h4-7,10,13H,3H2,1-2H3
InChIKeyNWGPAHVPSABPSV-UHFFFAOYSA-N
XLogP1.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 62586976
2-ethoxy-2-(2-ethoxyphenyl)acetonitrile
CID 57193661
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
(2R)-2-(2-ethoxyphenyl)-2-trimethylsilyloxyacetonitrile
CID 124630227
2-(3-chloro-4-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 116955010
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
1-(2-ethoxyphenyl)-N,2-dimethylprop-2-en-1-amine
CID 115533805
2-(3-ethoxy-2-hydroxyphenyl)-2-(1-phenylethylamino)acetonitrile
CID 84817244

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile (CID 43114978) is 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile is CCOc1ccccc1C(C#N)NC.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile?
The InChIKey is NWGPAHVPSABPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-14-11-7-5-4-6-9(11)10(8-12)13-2/h4-7,10,13H,3H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile?
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 43114978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).