N-tert-butyl-4-(4-ethylphenoxy)butan-1-amine
Basic information
- CAS
5562-61-8- Standard SMILES
CCc1ccc(OCCCCNC(C)(C)C)cc1- InChIKey
DOBPXCSPCKRQJQ-UHFFFAOYSA-N- Molecular formula
- C16H27NO
- Average molar mass
- 249.39 g/mol
- Monoisotopic mass
- 249.20926449
Names & identifiers
- Preferred name
- N-tert-butyl-4-(4-ethylphenoxy)butan-1-amine
- IUPAC
- N-tert-butyl-4-(4-ethylphenoxy)butan-1-amine
Names & synonyms
N-tert-butyl-4-(4-ethylphenoxy)butan-1-amine5562-61-8Methylphenidate Impurity 2DTXSID80367249AKOS008967433AB00089328-01SR-01000213421SR-01000213421-1
Database identifiers
- CAS
5562-61-8- PubChem CID
- 2250583
- DTXSID
DTXSID80367249
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 202
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Compound notes
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