2-(2,3-Dimethylphenoxy)-N-methyl-1-pentanamine
Basic information
- CAS
883531-15-5- Standard SMILES
CCCC(CNC)Oc1cccc(C)c1C- InChIKey
LBMWBKRRUVSKLS-UHFFFAOYSA-N- Molecular formula
- C14H23NO
- Average molar mass
- 221.34 g/mol
- Monoisotopic mass
- 221.17796436
Names & identifiers
- Preferred name
- 2-(2,3-Dimethylphenoxy)-N-methyl-1-pentanamine
- IUPAC
- 2-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
Names & synonyms
DTXSID001249837AKOS0213654432-(2,3-Dimethylphenoxy)-N-methyl-1-pentanamine2-(2,3-Dimethylphenoxy)-N-methylpentan-1-amine883531-15-5
Database identifiers
- CAS
883531-15-5- PubChem CID
- 83044503
- DTXSID
DTXSID001249837
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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