(E)-3-methyl-4-phenoxybut-2-en-1-amine
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Basic information
- CAS
741628-04-6- Standard SMILES
C/C(=C\CN)COc1ccccc1- InChIKey
BHADIMVYFCENKN-JXMROGBWSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- (E)-3-methyl-4-phenoxybut-2-en-1-amine
- IUPAC
- (E)-3-methyl-4-phenoxybut-2-en-1-amine
- English name
- 2-Buten-1-amine,3-methyl-4-phenoxy-,(E)-(9CI)
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
741628-04-62-Buten-1-amine, 3-methyl-4-phenoxy-, (2E)-2-Buten-1-amine,3-methyl-4-phenoxy-,(E)-(9CI)
Database identifiers
- CAS
741628-04-6- PubChem CID
- 45091227
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
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