4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile

C15H22N2O2 — CID 65252741

IUPAC4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
SMILESCOc1ccc(CCN)cc1OCCC(C)(C)C#N
InChIInChI=1S/C15H22N2O2/c1-15(2,11-17)7-9-19-14-10-12(6-8-16)4-5-13(14)18-3/h4-5,10H,6-9,16H2,1-3H3
InChIKeyWFBDCDCZJRQGIN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.52
Rot. Bonds7

About 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile

4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile (PubChem CID 65252741) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
PubChem CID65252741
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
SMILESCOc1ccc(CCN)cc1OCCC(C)(C)C#N
InChIInChI=1S/C15H22N2O2/c1-15(2,11-17)7-9-19-14-10-12(6-8-16)4-5-13(14)18-3/h4-5,10H,6-9,16H2,1-3H3
InChIKeyWFBDCDCZJRQGIN-UHFFFAOYSA-N
XLogP2.52
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]ethanamine
CID 54958248
4-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65252400
2-[5-(2-aminoethyl)-2-methoxyphenoxy]acetonitrile
CID 60904745
4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65251071
4-[4-(2-aminopropyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252752
6-[5-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylhexanenitrile
CID 106712921
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-[4-methoxy-3-(3-methoxypropoxy)phenyl]ethanamine;propane
CID 145237576
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
5-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 103866440
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile (CID 65252741) is 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile is COc1ccc(CCN)cc1OCCC(C)(C)C#N.
What is the InChIKey of 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile?
The InChIKey is WFBDCDCZJRQGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,11-17)7-9-19-14-10-12(6-8-16)4-5-13(14)18-3/h4-5,10H,6-9,16H2,1-3H3.
What are the key properties of 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile?
4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethyl)-2-methoxyphenoxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65252741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).