2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile

C11H14N2O — CID 112608438

IUPAC2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
SMILESCNCc1cccc(C)c1OCC#N
InChIInChI=1S/C11H14N2O/c1-9-4-3-5-10(8-13-2)11(9)14-7-6-12/h3-5,13H,7-8H2,1-2H3
InChIKeyHFLAHTWXKRONLI-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.62
Rot. Bonds4

About 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile

2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile (PubChem CID 112608438) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
PubChem CID112608438
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile
SMILESCNCc1cccc(C)c1OCC#N
InChIInChI=1S/C11H14N2O/c1-9-4-3-5-10(8-13-2)11(9)14-7-6-12/h3-5,13H,7-8H2,1-2H3
InChIKeyHFLAHTWXKRONLI-UHFFFAOYSA-N
XLogP1.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
1-[2-methyl-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608228
N-methyl-1-[3-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 112608398
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
1-[2-(4,4-dimethylpentoxy)-3-methylphenyl]-N-methylmethanamine
CID 114209330
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
2-fluoro-3-[[2-methyl-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107114294
1-[2-[(3,4-dimethylphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952132
1-[2-[(2-methoxyphenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952135
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
2-[2-methyl-6-(methylaminomethyl)phenoxy]butanenitrile
CID 112608340

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile?
The IUPAC name of 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile (CID 112608438) is 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile is CNCc1cccc(C)c1OCC#N.
What is the InChIKey of 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile?
The InChIKey is HFLAHTWXKRONLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-4-3-5-10(8-13-2)11(9)14-7-6-12/h3-5,13H,7-8H2,1-2H3.
What are the key properties of 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile?
2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(methylaminomethyl)phenoxy]acetonitrile is sourced from PubChem (CID 112608438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).