N-(3-(Phenoxymethylphenyl)propyl)diallylamine
Basic information
- CAS
19733-83-6- Standard SMILES
C=CC/C=C/C=NCCCC1C=CC(COc2ccccc2)=CC1- InChIKey
ACVZGCOBHFNADO-AOMBOZEISA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- N-(3-(Phenoxymethylphenyl)propyl)diallylamine
- IUPAC
- (2E)-N-[3-[4-(phenoxymethyl)cyclohexa-2,4-dien-1-yl]propyl]hexa-2,5-dien-1-imine
Names & synonyms
BRN 2817690N-(3-(Phenoxymethylphenyl)propyl)diallylamineN-(3-(p-(Phenoxymethyl)phenyl)propyl)diallylamineDIALLYLAMINE, N-(3-(PHENOXYMETHYLPHENYL)PROPYL)-DIALLYLAMINE, N-(3-(p-(PHENOXYMETHYL)PHENYL)PROPYL)-19733-83-673825-78-2
Database identifiers
- CAS
19733-83-6、73825-78-2- PubChem CID
- 6433740
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
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Compound notes
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