2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile

C13H18N2O2 — CID 60882840

IUPAC2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
SMILESCCNCc1cccc(OCC)c1OCC#N
InChIInChI=1S/C13H18N2O2/c1-3-15-10-11-6-5-7-12(16-4-2)13(11)17-9-8-14/h5-7,15H,3-4,9-10H2,1-2H3
InChIKeyQFEWBSZMXIDJFG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.10
Rot. Bonds7

About 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile

2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile (PubChem CID 60882840) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
PubChem CID60882840
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile
SMILESCCNCc1cccc(OCC)c1OCC#N
InChIInChI=1S/C13H18N2O2/c1-3-15-10-11-6-5-7-12(16-4-2)13(11)17-9-8-14/h5-7,15H,3-4,9-10H2,1-2H3
InChIKeyQFEWBSZMXIDJFG-UHFFFAOYSA-N
XLogP2.10
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
2-[2-(bromomethyl)-6-ethoxyphenoxy]acetonitrile
CID 43366835
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
1-[2-ethoxy-6-(ethylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 60881705
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
4-[2-ethoxy-6-(propylaminomethyl)phenoxy]butanenitrile
CID 60881898
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
methyl 4-[2-ethoxy-6-(ethylaminomethyl)phenoxy]butanoate
CID 60880960

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile?
The IUPAC name of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile (CID 60882840) is 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile is CCNCc1cccc(OCC)c1OCC#N.
What is the InChIKey of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile?
The InChIKey is QFEWBSZMXIDJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-15-10-11-6-5-7-12(16-4-2)13(11)17-9-8-14/h5-7,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile?
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile has a molecular weight of 234.30 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetonitrile is sourced from PubChem (CID 60882840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).