2-[3-[[Cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
Basic information
- CAS
2472-48-2- Standard SMILES
COc1ccc(C(C#N)NCCCNC(C#N)c2ccc(OC)cc2)cc1- InChIKey
FKRDCLMTLCIITA-UHFFFAOYSA-N- Molecular formula
- C21H24N4O2
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.18992602
Names & identifiers
- Preferred name
- 2-[3-[[Cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
- IUPAC
- 2-[3-[[cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
Names & synonyms
2472-48-2NSC83409NCIOpen2_009066DTXSID90947657NSC-834092,2'-(Propane-1,3-diyldiazanediyl)bis[(4-methoxyphenyl)acetonitrile]2,2'-[Propane-1,3-diylbis(azanediyl)]bis[(4-methoxyphenyl)acetonitrile]
Database identifiers
- CAS
2472-48-2- PubChem CID
- 256512
- DTXSID
DTXSID90947657
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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