N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
Basic information
- CAS
849035-15-0- Standard SMILES
C=CCC(Nc1ccccc1)c1cccc(OC)c1OC- InChIKey
DTRMJXFQFKQCHY-UHFFFAOYSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- N-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)aniline
- IUPAC
- N-[1-(2,3-dimethoxyphenyl)but-3-enyl]aniline
Names & synonyms
849035-15-0N-[1-(2,3-dimethoxyphenyl)but-3-enyl]anilineN-(1-(2,3-dimethoxyphenyl)but-3-en-1-yl)anilineN-[1-(2,3-dimethoxyphenyl)but-3-en-1-yl]anilineMLS000333441CHEMBL1720296DTXSID201326162HMS2777B20MFCD05668074AKOS015955297SMR000436714VS-09782
Show more names
CS-0362000[1-(2,3-Dimethoxy-phenyl)-but-3-enyl]-phenyl-amine
Database identifiers
- CAS
849035-15-0- PubChem CID
- 2772097
- DTXSID
DTXSID201326162- ChEMBL
CHEMBL1720296
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Experimental & physicochemical properties
Solubility10.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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