2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile

C15H20N2O — CID 63906504

IUPAC2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COc1cccc(C)c1C)C1CC1
InChIInChI=1S/C15H20N2O/c1-11-5-4-6-14(12(11)2)18-10-15(9-16,17-3)13-7-8-13/h4-6,13,17H,7-8,10H2,1-3H3
InChIKeyXGRGNBLLLKXTSO-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.57
Rot. Bonds5

About 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile

2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile (PubChem CID 63906504) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
PubChem CID63906504
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
SMILESCNC(C#N)(COc1cccc(C)c1C)C1CC1
InChIInChI=1S/C15H20N2O/c1-11-5-4-6-14(12(11)2)18-10-15(9-16,17-3)13-7-8-13/h4-6,13,17H,7-8,10H2,1-3H3
InChIKeyXGRGNBLLLKXTSO-UHFFFAOYSA-N
XLogP2.57
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
CID 63906095
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
CID 63906328
ethyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanoate
CID 63920579
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
1-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propan-2-ol
CID 64812126
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-amino-2-cyclopropyl-3-(2,3-dimethylphenoxy)propanamide
CID 63920183
5-(2,3-dimethylphenoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804519
methyl 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(ethylamino)propanoate
CID 63920379
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905879
3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63908827
2-cyclopropyl-2-(propylamino)-3-(2,4,6-trimethylphenoxy)propanenitrile
CID 63906313

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile (CID 63906504) is 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile is CNC(C#N)(COc1cccc(C)c1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile?
The InChIKey is XGRGNBLLLKXTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-4-6-14(12(11)2)18-10-15(9-16,17-3)13-7-8-13/h4-6,13,17H,7-8,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile?
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile is sourced from PubChem (CID 63906504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).