4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile

C15H22N2O2 — CID 63028231

IUPAC4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
SMILESCCOc1ccc(OCCC(C#N)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-4-18-14-5-7-15(8-6-14)19-10-9-13(11-16)17-12(2)3/h5-8,12-13,17H,4,9-10H2,1-3H3
InChIKeyZOZNQOBCKLBZAH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.74
Rot. Bonds8

About 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile

4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile (PubChem CID 63028231) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
PubChem CID63028231
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
SMILESCCOc1ccc(OCCC(C#N)NC(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-4-18-14-5-7-15(8-6-14)19-10-9-13(11-16)17-12(2)3/h5-8,12-13,17H,4,9-10H2,1-3H3
InChIKeyZOZNQOBCKLBZAH-UHFFFAOYSA-N
XLogP2.74
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
4-(2,3-dimethylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63027852
4-(3-methylsulfonylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63029622
4-(2-methyl-5-propan-2-ylphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63029815
2-(propan-2-ylamino)-2-(4-propoxyphenyl)acetonitrile
CID 55079162
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
CID 63028632
4-pentan-2-yloxy-2-(propan-2-ylamino)butanenitrile
CID 102983485
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507
4-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-(propan-2-ylamino)butanenitrile
CID 107744385
4-pentoxy-2-(propan-2-ylamino)butanenitrile
CID 63029610
3-[4-(2-hydroxyethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 107709808

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile?
The IUPAC name of 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile (CID 63028231) is 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile?
The canonical SMILES for 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile is CCOc1ccc(OCCC(C#N)NC(C)C)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile?
The InChIKey is ZOZNQOBCKLBZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-18-14-5-7-15(8-6-14)19-10-9-13(11-16)17-12(2)3/h5-8,12-13,17H,4,9-10H2,1-3H3.
What are the key properties of 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile?
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile is sourced from PubChem (CID 63028231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).