2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile

C17H24N2O2 — CID 63907770

IUPAC2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCCOc1ccc(OCC(C#N)(NC(C)C)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-4-20-15-7-9-16(10-8-15)21-12-17(11-18,14-5-6-14)19-13(2)3/h7-10,13-14,19H,4-6,12H2,1-3H3
InChIKeyCTSNHJLKMYKLLM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.13
Rot. Bonds8

About 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile (PubChem CID 63907770) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
PubChem CID63907770
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCCOc1ccc(OCC(C#N)(NC(C)C)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-4-20-15-7-9-16(10-8-15)21-12-17(11-18,14-5-6-14)19-13(2)3/h7-10,13-14,19H,4-6,12H2,1-3H3
InChIKeyCTSNHJLKMYKLLM-UHFFFAOYSA-N
XLogP3.13
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 81268540
2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 63985003
3-(4-tert-butylphenoxy)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63908608
2-cyclopropyl-3-(3,5-dimethylphenoxy)-2-(ethylamino)propanenitrile
CID 63907144
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913097
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237
2-cyclopropyl-3-(4-ethylphenoxy)-2-(propan-2-ylamino)propanamide
CID 63919201
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137
1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
CID 116841666
2-cyclopropyl-2-(propylamino)-3-(2,4,6-trimethylphenoxy)propanenitrile
CID 63906313

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile (CID 63907770) is 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile is CCOc1ccc(OCC(C#N)(NC(C)C)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is CTSNHJLKMYKLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-20-15-7-9-16(10-8-15)21-12-17(11-18,14-5-6-14)19-13(2)3/h7-10,13-14,19H,4-6,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 288.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63907770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).