2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile

C15H22N2O2 — CID 63028658

IUPAC2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
SMILESCCCOc1ccc(OCCC(C#N)NCC)cc1
InChIInChI=1S/C15H22N2O2/c1-3-10-18-14-5-7-15(8-6-14)19-11-9-13(12-16)17-4-2/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyZKQPRPSCAVQYBU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.75
Rot. Bonds9

About 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile

2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile (PubChem CID 63028658) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
PubChem CID63028658
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
SMILESCCCOc1ccc(OCCC(C#N)NCC)cc1
InChIInChI=1S/C15H22N2O2/c1-3-10-18-14-5-7-15(8-6-14)19-11-9-13(12-16)17-4-2/h5-8,13,17H,3-4,9-11H2,1-2H3
InChIKeyZKQPRPSCAVQYBU-UHFFFAOYSA-N
XLogP2.75
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
CID 55144879
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
CID 63027246
4-(4-ethoxyphenoxy)-2-(propan-2-ylamino)butanenitrile
CID 63028231
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 55143340
4-(4-fluorophenoxy)-2-(methylamino)butanenitrile
CID 63028632
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
2-(ethylamino)-4-(4-propoxyphenoxy)butanamide
CID 63033885
2-(ethylamino)-4-propan-2-yloxybutanenitrile
CID 63029764
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
N-ethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 79405246

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile (CID 63028658) is 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile is CCCOc1ccc(OCCC(C#N)NCC)cc1.
What is the InChIKey of 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile?
The InChIKey is ZKQPRPSCAVQYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-10-18-14-5-7-15(8-6-14)19-11-9-13(12-16)17-4-2/h5-8,13,17H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile?
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile is sourced from PubChem (CID 63028658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).