2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile

C11H14N2O2 — CID 60904745

IUPAC2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
SMILESCOc1ccc(CCN)cc1OCC#N
InChIInChI=1S/C11H14N2O2/c1-14-10-3-2-9(4-5-12)8-11(10)15-7-6-13/h2-3,8H,4-5,7,12H2,1H3
InChIKeyITTQOFNPJJJASK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.10
Rot. Bonds5

About 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile

2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile (PubChem CID 60904745) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
PubChem CID60904745
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
SMILESCOc1ccc(CCN)cc1OCC#N
InChIInChI=1S/C11H14N2O2/c1-14-10-3-2-9(4-5-12)8-11(10)15-7-6-13/h2-3,8H,4-5,7,12H2,1H3
InChIKeyITTQOFNPJJJASK-UHFFFAOYSA-N
XLogP1.10
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252741
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile?
The IUPAC name of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile (CID 60904745) is 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile.
What is the SMILES notation for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile?
The canonical SMILES for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile is COc1ccc(CCN)cc1OCC#N.
What is the InChIKey of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile?
The InChIKey is ITTQOFNPJJJASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-10-3-2-9(4-5-12)8-11(10)15-7-6-13/h2-3,8H,4-5,7,12H2,1H3.
What are the key properties of 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile?
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile is sourced from PubChem (CID 60904745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).