3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile

C13H18N2O2 — CID 63984047

IUPAC3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)COc1cccc(COC)c1
InChIInChI=1S/C13H18N2O2/c1-13(9-14,15-2)10-17-12-6-4-5-11(7-12)8-16-3/h4-7,15H,8,10H2,1-3H3
InChIKeyWDFGRFHDLQEFLT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.71
Rot. Bonds6

About 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile

3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile (PubChem CID 63984047) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
PubChem CID63984047
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)COc1cccc(COC)c1
InChIInChI=1S/C13H18N2O2/c1-13(9-14,15-2)10-17-12-6-4-5-11(7-12)8-16-3/h4-7,15H,8,10H2,1-3H3
InChIKeyWDFGRFHDLQEFLT-UHFFFAOYSA-N
XLogP1.71
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)phenoxy]-2-methylpropan-2-ol
CID 63985540
1-(3-bromo-2,2-dimethylpropoxy)-3-(methoxymethyl)benzene
CID 65000197
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(methoxymethyl)phenoxy]propanenitrile
CID 63984999
2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 63985003
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64728224
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butan-1-ol
CID 64808688
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
N-[3-[3-(methoxymethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 63985963
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626
1-[3-(methoxymethyl)phenoxy]-3,3-dimethylbutan-2-one
CID 63986983

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile?
The IUPAC name of 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile (CID 63984047) is 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile?
The canonical SMILES for 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile is CNC(C)(C#N)COc1cccc(COC)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile?
The InChIKey is WDFGRFHDLQEFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(9-14,15-2)10-17-12-6-4-5-11(7-12)8-16-3/h4-7,15H,8,10H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile?
3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile has a molecular weight of 234.30 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 3-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)propanenitrile is sourced from PubChem (CID 63984047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).