2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile

C11H14N2O2 — CID 61268341

IUPAC2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
SMILESCNCc1ccc(OC)cc1OCC#N
InChIInChI=1S/C11H14N2O2/c1-13-8-9-3-4-10(14-2)7-11(9)15-6-5-12/h3-4,7,13H,6,8H2,1-2H3
InChIKeyQKRWUUOUKTYOSK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.32
Rot. Bonds5

About 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile

2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile (PubChem CID 61268341) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
PubChem CID61268341
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile
SMILESCNCc1ccc(OC)cc1OCC#N
InChIInChI=1S/C11H14N2O2/c1-13-8-9-3-4-10(14-2)7-11(9)15-6-5-12/h3-4,7,13H,6,8H2,1-2H3
InChIKeyQKRWUUOUKTYOSK-UHFFFAOYSA-N
XLogP1.32
TPSA54.28 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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
1-[4-methoxy-2-(3-methylbutoxy)phenyl]-N-methylmethanamine
CID 61268710
6-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708799
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]acetonitrile
CID 60878332
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
3-[[5-methoxy-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 61267232
1-[2-(difluoromethoxy)-4-methoxyphenyl]-N-methylmethanamine
CID 61270001
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
1-(2-but-2-ynoxy-5-methoxyphenyl)-N-methylmethanamine
CID 62311325
2-(2-hydroxy-4-methoxyphenoxy)acetonitrile
CID 130057675
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
1-[4-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylmethanamine
CID 116615036

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile?
The IUPAC name of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile (CID 61268341) is 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile is CNCc1ccc(OC)cc1OCC#N.
What is the InChIKey of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile?
The InChIKey is QKRWUUOUKTYOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-8-9-3-4-10(14-2)7-11(9)15-6-5-12/h3-4,7,13H,6,8H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile?
2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetonitrile is sourced from PubChem (CID 61268341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).