4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile

C15H22N2O2 — CID 65249827

IUPAC4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
SMILESCNCc1cc(OC)ccc1OCCC(C)(C)C#N
InChIInChI=1S/C15H22N2O2/c1-15(2,11-16)7-8-19-14-6-5-13(18-4)9-12(14)10-17-3/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeySCUZOAGZKAXCPR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds7

About 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile

4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile (PubChem CID 65249827) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
PubChem CID65249827
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
SMILESCNCc1cc(OC)ccc1OCCC(C)(C)C#N
InChIInChI=1S/C15H22N2O2/c1-15(2,11-16)7-8-19-14-6-5-13(18-4)9-12(14)10-17-3/h5-6,9,17H,7-8,10H2,1-4H3
InChIKeySCUZOAGZKAXCPR-UHFFFAOYSA-N
XLogP2.73
TPSA54.28 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65249887
1-[2-(3,3-dimethylbutoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 54957615
6-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708799
4-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-2,2-dimethylbutanenitrile
CID 65246931
4-[2-(hydroxymethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65253720
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
6-[4-bromo-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708771
5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257858
1-(2-but-2-ynoxy-5-methoxyphenyl)-N-methylmethanamine
CID 62311325
6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106708281

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile (CID 65249827) is 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile is CNCc1cc(OC)ccc1OCCC(C)(C)C#N.
What is the InChIKey of 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile?
The InChIKey is SCUZOAGZKAXCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,11-16)7-8-19-14-6-5-13(18-4)9-12(14)10-17-3/h5-6,9,17H,7-8,10H2,1-4H3.
What are the key properties of 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile?
4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65249827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).