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Basic information
- CAS
5531-44-2- Standard SMILES
CCCNC(C)(C)Cc1ccccc1- InChIKey
KZLGIIHMVBDWPK-UHFFFAOYSA-N- Molecular formula
- C13H21N
- Average molar mass
- 191.31 g/mol
- Monoisotopic mass
- 191.16739967
Names & identifiers
- Preferred name
- Phenethylamine, alpha,alpha-dimethyl-N-propyl-
- IUPAC
- 2-methyl-1-phenyl-N-propylpropan-2-amine
Names & synonyms
D-3-6Phenethylamine, alpha,alpha-dimethyl-N-propyl-BRN 2803771alpha,alpha-Dimethyl-N-propylphenethylamine5531-44-2Benzeneethanamine, alpha,alpha-dimethyl-N-propyl-DTXSID10203863RefChem:368685DTXCID40126354SCHEMBL29648088KZLGIIHMVBDWPK-UHFFFAOYSA-NN-(2-methyl-1-phenylpropan-2-yl)propan-1-amine
Database identifiers
- CAS
5531-44-2- PubChem CID
- 200033
- DTXSID
DTXSID10203863- Nikkaji
- J69.588B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Related reactions
1 records
Compound notes
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