2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile

C12H16N2O2 — CID 60905803

IUPAC2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
SMILESCCOc1cccc(CCN)c1OCC#N
InChIInChI=1S/C12H16N2O2/c1-2-15-11-5-3-4-10(6-7-13)12(11)16-9-8-14/h3-5H,2,6-7,9,13H2,1H3
InChIKeyUCMUAZFVOMOCIY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.49
Rot. Bonds6

About 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile

2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile (PubChem CID 60905803) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
PubChem CID60905803
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
SMILESCCOc1cccc(CCN)c1OCC#N
InChIInChI=1S/C12H16N2O2/c1-2-15-11-5-3-4-10(6-7-13)12(11)16-9-8-14/h3-5H,2,6-7,9,13H2,1H3
InChIKeyUCMUAZFVOMOCIY-UHFFFAOYSA-N
XLogP1.49
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(bromomethyl)-6-ethoxyphenoxy]acetonitrile
CID 43366835
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
CID 60882840
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095267
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
5-[2-(aminomethyl)-6-ethoxyphenoxy]pentanenitrile
CID 54966365
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019
2-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 60905114

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile?
The IUPAC name of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile (CID 60905803) is 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile is CCOc1cccc(CCN)c1OCC#N.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile?
The InChIKey is UCMUAZFVOMOCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-15-11-5-3-4-10(6-7-13)12(11)16-9-8-14/h3-5H,2,6-7,9,13H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile?
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile is sourced from PubChem (CID 60905803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).