2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile

C11H14N2O2 — CID 60905751

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

About 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile

2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile (PubChem CID 60905751) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
PubChem CID60905751
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
SMILESCOc1ccc(OCC#N)c(CCN)c1
InChIInChI=1S/C11H14N2O2/c1-14-10-2-3-11(15-7-6-13)9(8-10)4-5-12/h2-3,8H,4-5,7,12H2,1H3
InChIKeyJEZLPYAWXSGGPX-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

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2,5-Dimethoxy-4-iodophenethylamine
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2,5-Dimethoxy-4-methylphenethylamine
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3-Methoxyphenethylamine
CID 74866
Desglymidodrine
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2,5-Dimethoxy-4-ethylamphetamine
CID 27402
2,5-Dimethoxy-4-Methylamphetamine, (R)-
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile?
The IUPAC name of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile (CID 60905751) is 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile is COc1ccc(OCC#N)c(CCN)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile?
The InChIKey is JEZLPYAWXSGGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-10-2-3-11(15-7-6-13)9(8-10)4-5-12/h2-3,8H,4-5,7,12H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile?
2-[2-(2-aminoethyl)-4-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-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile is sourced from PubChem (CID 60905751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).