Phenethylamine, N,N-dimethyl-beta-ethyl-
Basic information
- CAS
33132-91-1- Standard SMILES
CCC(CN(C)C)c1ccccc1- InChIKey
UMAKZNFESLTKKX-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- Phenethylamine, N,N-dimethyl-beta-ethyl-
- IUPAC
- N,N-dimethyl-2-phenylbutan-1-amine
- English name
- β-Ethyl-N,N-dimethylbenzeneethanamine
- Molecular formula
- C12H19N
- Molecular weight
- 177.28596
Names & synonyms
Phenethylamine, N,N-dimethyl-beta-ethyl-33132-91-1RefChem:1094751N,N-dimethyl-2-phenylbutan-1-amineN,N-Dimethyl-beta-ethylphenethylamineNSC 38492BRN 2087924NSC38492Benzeneethanamine, beta-ethyl-N,N-dimethyl-Benzeneethanamine, .beta.-ethyl-N,N-dimethyl-SCHEMBL3428926DTXSID601384938
Show more names
β-Ethyl-N,N-dimethylbenzeneethanamine
NSC-38492Phenethylamine,N-dimethyl-.beta.-ethyl-DS-010131
Database identifiers
- CAS
33132-91-1- PubChem CID
- 97772
- DTXSID
DTXSID601384938- Nikkaji
- J50.044E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
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Compound notes
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