2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile

C15H22N2O — CID 63027246

IUPAC2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
SMILESCCNC(C#N)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C15H22N2O/c1-4-17-14(11-16)8-9-18-15-7-5-6-13(10-15)12(2)3/h5-7,10,12,14,17H,4,8-9H2,1-3H3
InChIKeyFIZZXDRNLNOEDN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds7

About 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile

2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile (PubChem CID 63027246) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
PubChem CID63027246
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
SMILESCCNC(C#N)CCOc1cccc(C(C)C)c1
InChIInChI=1S/C15H22N2O/c1-4-17-14(11-16)8-9-18-15-7-5-6-13(10-15)12(2)3/h5-7,10,12,14,17H,4,8-9H2,1-3H3
InChIKeyFIZZXDRNLNOEDN-UHFFFAOYSA-N
XLogP3.08
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-propan-2-ylphenoxy)-2-(propylamino)butanenitrile
CID 63027244
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
4-(3,4-difluorophenoxy)-2-(ethylamino)butanenitrile
CID 55144879
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
4-(3-methoxyphenoxy)-2-(propylamino)butanenitrile
CID 55144295
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
2-(ethylamino)-4-naphthalen-2-ylsulfanylbutanenitrile
CID 63053903
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 55143340

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile?
The IUPAC name of 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile (CID 63027246) is 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile is CCNC(C#N)CCOc1cccc(C(C)C)c1.
What is the InChIKey of 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile?
The InChIKey is FIZZXDRNLNOEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-17-14(11-16)8-9-18-15-7-5-6-13(10-15)12(2)3/h5-7,10,12,14,17H,4,8-9H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile?
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile has a molecular weight of 246.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile is sourced from PubChem (CID 63027246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).