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3-n-propoxy-4-methoxy-N-methylbenzylamine

HCID 15079025
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCOc1cc(CNC)ccc1OC
InChIKey
OFABLMKFIBGMPM-UHFFFAOYSA-N
Molecular formula
C12H19NO2
Average molar mass
209.28 g/mol

Names & identifiers

Preferred name
3-n-propoxy-4-methoxy-N-methylbenzylamine
IUPAC
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine

Names & synonyms

SCHEMBL9652734OFABLMKFIBGMPM-UHFFFAOYSA-NAKOS0090237803-n-propoxy-4-methoxy-N-methylbenzylamine

Database identifiers

PubChem CID
15079025

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
30.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
164

Related reactions

2 records
New reaction record
HRID 1111129 reaction equation
HRID 1111129As reactantuspto-grants-1990_12
HRID 1559961 reaction equation
HRID 1559961As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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