6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile

C15H22N2O2 — CID 106708281

IUPAC6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile
SMILESCOc1ccc(OCCCCC(C)(C)C#N)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-15(2,11-16)8-4-5-9-19-14-7-6-12(18-3)10-13(14)17/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyRYEFKVSIIDJPQR-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.38
Rot. Bonds7

About 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile

6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile (PubChem CID 106708281) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile
PubChem CID106708281
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile
SMILESCOc1ccc(OCCCCC(C)(C)C#N)c(N)c1
InChIInChI=1S/C15H22N2O2/c1-15(2,11-16)8-4-5-9-19-14-7-6-12(18-3)10-13(14)17/h6-7,10H,4-5,8-9,17H2,1-3H3
InChIKeyRYEFKVSIIDJPQR-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile 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

5-(2-tert-butyl-4-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 65257858
6-[5-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708799
4-(2-amino-4-methoxyphenoxy)-2-methylbutan-2-ol
CID 79360631
6-(4-aminophenoxy)-2,2-dimethylhexanenitrile
CID 106708279
5-methoxy-2-nonoxyaniline
CID 43128995
4-(2-amino-4-methylphenoxy)-2,2-dimethylbutanenitrile
CID 65249994
methyl 3-amino-4-(4-cyano-4-methylpentoxy)benzoate
CID 65256099
6-(2-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106710361
4-[4-methoxy-2-(methylaminomethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65249827
6-[5-(hydroxymethyl)-2-methoxyphenoxy]-2,2-dimethylhexanenitrile
CID 106712921
5-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenoxy]-2,2-dimethylpentanenitrile
CID 82002620
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile?
The IUPAC name of 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile (CID 106708281) is 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile is COc1ccc(OCCCCC(C)(C)C#N)c(N)c1.
What is the InChIKey of 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile?
The InChIKey is RYEFKVSIIDJPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,11-16)8-4-5-9-19-14-7-6-12(18-3)10-13(14)17/h6-7,10H,4-5,8-9,17H2,1-3H3.
What are the key properties of 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile?
6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile has a molecular weight of 262.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-methoxyphenoxy)-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106708281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).