4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile

C14H20N2O2 — CID 55144295

IUPAC4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCOc1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-3-8-16-12(11-15)7-9-18-14-6-4-5-13(10-14)17-2/h4-6,10,12,16H,3,7-9H2,1-2H3
InChIKeyXPKXHEUOBQULIP-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.36
Rot. Bonds8

About 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile

4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile (PubChem CID 55144295) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
PubChem CID55144295
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
SMILESCCCNC(C#N)CCOc1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-3-8-16-12(11-15)7-9-18-14-6-4-5-13(10-14)17-2/h4-6,10,12,16H,3,7-9H2,1-2H3
InChIKeyXPKXHEUOBQULIP-UHFFFAOYSA-N
XLogP2.36
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-propan-2-ylphenoxy)-2-(propylamino)butanenitrile
CID 63027244
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
4-(4-methoxyphenyl)sulfanyl-2-(propylamino)butanenitrile
CID 63054595
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
CID 63027246
2-(propylamino)-4-(2,3,6-trimethylphenoxy)butanenitrile
CID 63028844
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
4-(2-tert-butylphenoxy)-2-(propylamino)butanenitrile
CID 63029977
4-(2-methoxy-5-nitrophenoxy)-2-(propylamino)butanenitrile
CID 63030008
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692
2-ethyl-5-(3-methoxyphenoxy)-2-(propylamino)pentanenitrile
CID 106804523
4-(2,3,4,5,6-pentafluorophenoxy)-2-(propylamino)butanenitrile
CID 63029616
2-(3-methoxyphenoxy)acetonitrile
CID 11041031

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile?
The IUPAC name of 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile (CID 55144295) is 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile.
What is the SMILES notation for 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile?
The canonical SMILES for 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile is CCCNC(C#N)CCOc1cccc(OC)c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile?
The InChIKey is XPKXHEUOBQULIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-8-16-12(11-15)7-9-18-14-6-4-5-13(10-14)17-2/h4-6,10,12,16H,3,7-9H2,1-2H3.
What are the key properties of 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile?
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile has a molecular weight of 248.33 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile is sourced from PubChem (CID 55144295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).