2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile

C16H22N2O3 — CID 63908192

IUPAC2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(COc1c(OC)cccc1OC)C1CC1
InChIInChI=1S/C16H22N2O3/c1-4-18-16(10-17,12-8-9-12)11-21-15-13(19-2)6-5-7-14(15)20-3/h5-7,12,18H,4,8-9,11H2,1-3H3
InChIKeyZJZCVRGVZIJWTD-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.36
Rot. Bonds8

About 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile (PubChem CID 63908192) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
PubChem CID63908192
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(COc1c(OC)cccc1OC)C1CC1
InChIInChI=1S/C16H22N2O3/c1-4-18-16(10-17,12-8-9-12)11-21-15-13(19-2)6-5-7-14(15)20-3/h5-7,12,18H,4,8-9,11H2,1-3H3
InChIKeyZJZCVRGVZIJWTD-UHFFFAOYSA-N
XLogP2.36
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
CID 63906095
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
2-cyclopropyl-2-(ethylamino)-3-[2-(3-methoxypropoxy)ethoxy]propanenitrile
CID 103179775
2-cyclopropyl-2-(propylamino)-3-(2,4,6-trimethylphenoxy)propanenitrile
CID 63906313
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 81268540
2-cyclopropyl-2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propanenitrile
CID 63905591
2-cyclopropyl-2-(ethylamino)-3-heptoxypropanenitrile
CID 63906273
2-cyclopropyl-2-(ethylamino)-3-(furan-2-ylmethylsulfanyl)propanenitrile
CID 63908434
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913780
2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile (CID 63908192) is 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile is CCNC(C#N)(COc1c(OC)cccc1OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile?
The InChIKey is ZJZCVRGVZIJWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-18-16(10-17,12-8-9-12)11-21-15-13(19-2)6-5-7-14(15)20-3/h5-7,12,18H,4,8-9,11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile has a molecular weight of 290.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63908192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).