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

C16H22N2O2 — CID 63906303

IUPAC2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COc1ccccc1OC)C1CC1
InChIInChI=1S/C16H22N2O2/c1-3-10-18-16(11-17,13-8-9-13)12-20-15-7-5-4-6-14(15)19-2/h4-7,13,18H,3,8-10,12H2,1-2H3
InChIKeyADMOGMUSKJTGQN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds8

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

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile (PubChem CID 63906303) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
PubChem CID63906303
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(COc1ccccc1OC)C1CC1
InChIInChI=1S/C16H22N2O2/c1-3-10-18-16(11-17,13-8-9-13)12-20-15-7-5-4-6-14(15)19-2/h4-7,13,18H,3,8-10,12H2,1-2H3
InChIKeyADMOGMUSKJTGQN-UHFFFAOYSA-N
XLogP2.75
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
CID 63906095
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propylamino)propanenitrile
CID 63914238
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-2-(propylamino)-3-(2,4,6-trimethylphenoxy)propanenitrile
CID 63906313
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
CID 104564930
2-cyclopropyl-3-[2-(hydroxymethyl)phenoxy]-2-(methylamino)propanenitrile
CID 63906328
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
3-(4-tert-butylphenoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63908608
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(propylamino)propanenitrile
CID 64728826
2-cyclopropyl-2-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanenitrile
CID 66274624

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile (CID 63906303) is 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile is CCCNC(C#N)(COc1ccccc1OC)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile?
The InChIKey is ADMOGMUSKJTGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-10-18-16(11-17,13-8-9-13)12-20-15-7-5-4-6-14(15)19-2/h4-7,13,18H,3,8-10,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile has a molecular weight of 274.36 g/mol, XLogP of 2.75, 8 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-(propylamino)propanenitrile is sourced from PubChem (CID 63906303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).