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(2-Ethyl-3-methoxybenzyl)dimethylamine

HCID 13780987
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1c(CN(C)C)cccc1OC
InChIKey
NOEIWAJDLSOWCT-UHFFFAOYSA-N
Molecular formula
C12H19NO
Average molar mass
193.28 g/mol

Names & identifiers

Preferred name
(2-Ethyl-3-methoxybenzyl)dimethylamine
IUPAC
1-(2-ethyl-3-methoxyphenyl)-N,N-dimethylmethanamine

Names & synonyms

SCHEMBL5343889NOEIWAJDLSOWCT-UHFFFAOYSA-N(2-ethyl-3-methoxybenzyl)dimethylamine

Database identifiers

PubChem CID
13780987

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
158

Related reactions

5 records
New reaction record
HRID 1178518 reaction equation
HRID 1178518As productuspto-grants-2007_10
HRID 1178519 reaction equation
HRID 1178519As reactantuspto-grants-2007_10
HRID 1243736 reaction equation
HRID 1243736As productuspto-grants-2006_10
HRID 1243737 reaction equation
HRID 1243737As reactantuspto-grants-2006_10
HRID 2160258 reaction equation
HRID 2160258As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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