1-(3,4-Dimethoxyphenyl)-2-amino-6-cyano-6-(i-propyl)-6-(3,4-dimethoxyphenyl)hexane

HCID 13745757
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Basic information

Standard SMILES
COc1ccc(CC(N)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIKey
MONXZHWLGFSZPQ-UHFFFAOYSA-N
Molecular formula
C26H36N2O4
Average molar mass
440.6 g/mol
Monoisotopic mass
440.26750763

Names & identifiers

Preferred name
1-(3,4-Dimethoxyphenyl)-2-amino-6-cyano-6-(i-propyl)-6-(3,4-dimethoxyphenyl)hexane
IUPAC
6-amino-2,7-bis(3,4-dimethoxyphenyl)-2-propan-2-ylheptanenitrile

Names & synonyms

SCHEMBL10772890MONXZHWLGFSZPQ-UHFFFAOYSA-N1-(3,4-dimethoxyphenyl)-2-amino-6-cyano-6-(i-propyl)-6-(3,4-dimethoxyphenyl)hexane

Database identifiers

PubChem CID
13745757

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
86.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
32

Related reactions

4 records
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Compound notes

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