2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile

C17H18N2O2 — CID 65341087

IUPAC2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
SMILESCNCc1ccccc1OCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H18N2O2/c1-19-11-14-5-3-4-6-17(14)21-12-13-7-8-16(20-2)15(9-13)10-18/h3-9,19H,11-12H2,1-2H3
InChIKeyYHWQUIDCSGMCRS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds6

About 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile

2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile (PubChem CID 65341087) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
PubChem CID65341087
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile
SMILESCNCc1ccccc1OCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H18N2O2/c1-19-11-14-5-3-4-6-17(14)21-12-13-7-8-16(20-2)15(9-13)10-18/h3-9,19H,11-12H2,1-2H3
InChIKeyYHWQUIDCSGMCRS-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-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788619
5-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344467
5-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 65339533
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
2-methoxy-5-(phenylmethoxymethyl)benzonitrile
CID 65343797
5-[[4-(aminomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 65338380
5-[[[2-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 111466492
5-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 114320911
5-[[2-(bromomethyl)-6-methylphenoxy]methyl]-2-methoxybenzonitrile
CID 115956914
5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
CID 65340609
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65336194
3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60888801

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile (CID 65341087) is 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile is CNCc1ccccc1OCc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile?
The InChIKey is YHWQUIDCSGMCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-11-14-5-3-4-6-17(14)21-12-13-7-8-16(20-2)15(9-13)10-18/h3-9,19H,11-12H2,1-2H3.
What are the key properties of 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile?
2-methoxy-5-[[2-(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 2-methoxy-5-[[2-(methylaminomethyl)phenoxy]methyl]benzonitrile is sourced from PubChem (CID 65341087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).