4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile

C16H24N2O — CID 79477641

IUPAC4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile
SMILESCCC(C)CN(CC)CCOc1ccc(C#N)cc1
InChIInChI=1S/C16H24N2O/c1-4-14(3)13-18(5-2)10-11-19-16-8-6-15(12-17)7-9-16/h6-9,14H,4-5,10-11,13H2,1-3H3
InChIKeyMZOLOGATXVYOKQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.31
Rot. Bonds8

About 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile

4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile (PubChem CID 79477641) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile
PubChem CID79477641
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile
SMILESCCC(C)CN(CC)CCOc1ccc(C#N)cc1
InChIInChI=1S/C16H24N2O/c1-4-14(3)13-18(5-2)10-11-19-16-8-6-15(12-17)7-9-16/h6-9,14H,4-5,10-11,13H2,1-3H3
InChIKeyMZOLOGATXVYOKQ-UHFFFAOYSA-N
XLogP3.31
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
N-[2-[3-(3-aminoprop-1-ynyl)phenoxy]ethyl]-N-ethyl-2-methylbutan-1-amine
CID 79481759
4-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzonitrile
CID 113339720
4-[3-[1-(dimethylamino)propan-2-yl-ethylamino]propoxy]benzonitrile
CID 103188933
1-[4-[3-(diethylamino)propoxy]phenyl]ethanol;4-[3-(dipropylamino)propoxy]benzonitrile
CID 70074611
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313
4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]benzonitrile
CID 139774948
4-[2-[3,3-dimethylbutan-2-yl(methyl)amino]ethoxy]benzonitrile
CID 54942841
4-[3-[cyclopropylmethyl(ethyl)amino]propoxy]benzonitrile
CID 63956799
N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62436768
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
4-[2-(4-ethoxyphenoxy)ethoxy]benzonitrile
CID 43213507

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile (CID 79477641) is 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile is CCC(C)CN(CC)CCOc1ccc(C#N)cc1.
What is the InChIKey of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile?
The InChIKey is MZOLOGATXVYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-14(3)13-18(5-2)10-11-19-16-8-6-15(12-17)7-9-16/h6-9,14H,4-5,10-11,13H2,1-3H3.
What are the key properties of 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile?
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile has a molecular weight of 260.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(2-methylbutyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 79477641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).