Benzeneethanamine, N-methyl-3-(1-methylethenyl)-
Basic information
- CAS
1784370-08-6- Standard SMILES
C=C(C)c1cccc(CCNC)c1- InChIKey
RZRKBJKIKPCSGV-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- Benzeneethanamine, N-methyl-3-(1-methylethenyl)-
- IUPAC
- N-methyl-2-(3-prop-1-en-2-ylphenyl)ethanamine
Names & synonyms
DTXSID601240538Benzeneethanamine, N-methyl-3-(1-methylethenyl)-N-Methyl-2-[3-(prop-1-en-2-yl)phenyl]ethan-1-amine1784370-08-6
Database identifiers
- CAS
1784370-08-6- PubChem CID
- 84050409
- DTXSID
DTXSID601240538
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
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Compound notes
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