2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile

C14H18N2O2 — CID 63906095

IUPAC2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COc1ccccc1OC)C1CC1
InChIInChI=1S/C14H18N2O2/c1-16-14(9-15,11-7-8-11)10-18-13-6-4-3-5-12(13)17-2/h3-6,11,16H,7-8,10H2,1-2H3
InChIKeyJLPKGRCXNSRICN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.97
Rot. Bonds6

About 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile (PubChem CID 63906095) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
PubChem CID63906095
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COc1ccccc1OC)C1CC1
InChIInChI=1S/C14H18N2O2/c1-16-14(9-15,11-7-8-11)10-18-13-6-4-3-5-12(13)17-2/h3-6,11,16H,7-8,10H2,1-2H3
InChIKeyJLPKGRCXNSRICN-UHFFFAOYSA-N
XLogP1.97
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
CID 63906328
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(methylamino)propanenitrile
CID 104564908
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905879
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63908827
2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
CID 63905680
3-(cyclohexylmethoxy)-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905913
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
3-(4-tert-butylphenoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63908608

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile (CID 63906095) is 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile is CNC(C#N)(COc1ccccc1OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile?
The InChIKey is JLPKGRCXNSRICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-14(9-15,11-7-8-11)10-18-13-6-4-3-5-12(13)17-2/h3-6,11,16H,7-8,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile is sourced from PubChem (CID 63906095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).