4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile

C14H20N2O3 — CID 55168643

IUPAC4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-4-16-11(10-15)5-6-19-14-8-12(17-2)7-13(9-14)18-3/h7-9,11,16H,4-6H2,1-3H3
InChIKeyQSDLBUIMUCIESE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.97
Rot. Bonds8

About 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile

4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile (PubChem CID 55168643) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
PubChem CID55168643
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-4-16-11(10-15)5-6-19-14-8-12(17-2)7-13(9-14)18-3/h7-9,11,16H,4-6H2,1-3H3
InChIKeyQSDLBUIMUCIESE-UHFFFAOYSA-N
XLogP1.97
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
4-(3,5-dimethoxyphenoxy)-N-ethylbutan-2-amine
CID 55135933
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
CID 55144879
6-(3,5-dimethoxyphenoxy)-N-ethylhexan-3-amine
CID 106800899
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
CID 63027246
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
5-(3,5-dimethoxyphenoxy)pentanenitrile
CID 55025373
2-(ethylamino)-4-propan-2-yloxybutanenitrile
CID 63029764
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 55143340
3-methoxy-5-(3-methyl-5-sulfanylpentoxy)benzonitrile
CID 103568381
2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63053903

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile (CID 55168643) is 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile is CCNC(C#N)CCOc1cc(OC)cc(OC)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile?
The InChIKey is QSDLBUIMUCIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16-11(10-15)5-6-19-14-8-12(17-2)7-13(9-14)18-3/h7-9,11,16H,4-6H2,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile?
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile has a molecular weight of 264.32 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile is sourced from PubChem (CID 55168643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).