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

C12H16N2O2 — CID 60878332

IUPAC2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
SMILESCCNCc1cc(OC)ccc1OCC#N
InChIInChI=1S/C12H16N2O2/c1-3-14-9-10-8-11(15-2)4-5-12(10)16-7-6-13/h4-5,8,14H,3,7,9H2,1-2H3
InChIKeyMOAJOACJTYEEKN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.71
Rot. Bonds6

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

2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile (PubChem CID 60878332) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
PubChem CID60878332
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
SMILESCCNCc1cc(OC)ccc1OCC#N
InChIInChI=1S/C12H16N2O2/c1-3-14-9-10-8-11(15-2)4-5-12(10)16-7-6-13/h4-5,8,14H,3,7,9H2,1-2H3
InChIKeyMOAJOACJTYEEKN-UHFFFAOYSA-N
XLogP1.71
TPSA54.28 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
2-[2-(ethylaminomethyl)phenoxy]acetonitrile
CID 43222823
2-[2-(ethylaminomethyl)-4-nitrophenoxy]acetonitrile
CID 60889390
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
2-(2-hydroxy-4-methoxyphenoxy)acetonitrile
CID 130057675
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
CID 61268341
N-[[5-methoxy-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]ethanamine
CID 103177499
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
N-[[5-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 106449683
N-[[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]ethanamine
CID 60878145
2-[(2-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 97179200

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile?
The IUPAC name of 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile (CID 60878332) is 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile?
The canonical SMILES for 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile is CCNCc1cc(OC)ccc1OCC#N.
What is the InChIKey of 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile?
The InChIKey is MOAJOACJTYEEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-14-9-10-8-11(15-2)4-5-12(10)16-7-6-13/h4-5,8,14H,3,7,9H2,1-2H3.
What are the key properties of 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile?
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile is sourced from PubChem (CID 60878332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).