3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile

C17H18N2O2 — CID 60888801

IUPAC3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
SMILESCNCc1cccc(OC)c1OCc1cccc(C#N)c1
InChIInChI=1S/C17H18N2O2/c1-19-11-15-7-4-8-16(20-2)17(15)21-12-14-6-3-5-13(9-14)10-18/h3-9,19H,11-12H2,1-2H3
InChIKeyPZLJSZSISCHIRH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds6

About 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile

3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile (PubChem CID 60888801) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
PubChem CID60888801
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
SMILESCNCc1cccc(OC)c1OCc1cccc(C#N)c1
InChIInChI=1S/C17H18N2O2/c1-19-11-15-7-4-8-16(20-2)17(15)21-12-14-6-3-5-13(9-14)10-18/h3-9,19H,11-12H2,1-2H3
InChIKeyPZLJSZSISCHIRH-UHFFFAOYSA-N
XLogP2.87
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60889745
1-[3-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 60889550
3-[[5-methoxy-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 61267232
3-[(2-ethylphenoxy)methyl]benzonitrile
CID 39158687
1-[3-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]-N-methylmethanamine
CID 62340507
2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 65341087
3-[[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]methyl]benzonitrile
CID 60889843
1-[4-[(2,6-dimethoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62450181
3-[[2-methoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 17245967
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
1-[2-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 62126144

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile?
The IUPAC name of 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile (CID 60888801) is 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile is CNCc1cccc(OC)c1OCc1cccc(C#N)c1.
What is the InChIKey of 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile?
The InChIKey is PZLJSZSISCHIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-11-15-7-4-8-16(20-2)17(15)21-12-14-6-3-5-13(9-14)10-18/h3-9,19H,11-12H2,1-2H3.
What are the key properties of 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile?
3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 60888801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).