Basic information
- CAS
107411-52-9- Standard SMILES
CCCCCOc1ccc(C(C)N)cc1- InChIKey
LQGDAZFYSIGWTH-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- Benzylamine, alpha-methyl-p-(pentyloxy)-
- IUPAC
- 1-(4-pentoxyphenyl)ethanamine
Names & synonyms
107411-52-9BRN 3255840alpha-Methyl-p-(pentyloxy)benzylamineBENZYLAMINE, alpha-METHYL-p-(PENTYLOXY)-RefChem:3287864-13-00-01786 (Beilstein Handbook Reference)1-[4-(PENTYLOXY)PHENYL]ETHAN-1-AMINEDTXSID40910316AKOS000163203EN300-295556
Database identifiers
- CAS
107411-52-9- PubChem CID
- 60187
- DTXSID
DTXSID40910316
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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