1-(Benzo[d][1,3]dioxol-5-yl)-N-(4-methoxybenzyl)methanamine hydrochloride
Basic information
- CAS
436099-74-0- Standard SMILES
COc1ccc(CNCc2ccc3c(c2)OCO3)cc1.Cl- InChIKey
GUWNFTMHCOAZTD-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO3
- Average molar mass
- 307.77 g/mol
- Monoisotopic mass
- 307.0975211
Names & identifiers
- Preferred name
- 1-(Benzo[d][1,3]dioxol-5-yl)-N-(4-methoxybenzyl)methanamine hydrochloride
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)methanamine;hydrochloride
Names & synonyms
1-(Benzo[d][1,3]dioxol-5-yl)-N-(4-methoxybenzyl)methanamine hydrochlorideCHEMBL4589584AKOS015848808CS-0320053N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)methanamine;hydrochloride
Database identifiers
- CAS
436099-74-0- PubChem CID
- 45074751
- ChEMBL
CHEMBL4589584
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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