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2-Amino-N,N-diethyl-5-methoxy-benzylamine

HCID 422009
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)Cc1cc(OC)ccc1N
InChIKey
AAQKXQYTIKGSAE-UHFFFAOYSA-N
Molecular formula
C12H20N2O
Average molar mass
208.3 g/mol
Monoisotopic mass
208.15756327

Names & identifiers

Preferred name
2-Amino-N,N-diethyl-5-methoxy-benzylamine
IUPAC
2-(diethylaminomethyl)-4-methoxyaniline

Names & synonyms

SCHEMBL11621356AAQKXQYTIKGSAE-UHFFFAOYSA-N2-Amino-N,N-diethyl-5-methoxy-benzylamine

Database identifiers

PubChem CID
422009

Properties

Computed structural propertiesFilling in

XLogP
1.8
Topological polar surface area
38.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
171

Related reactions

7 records
New reaction record
HRID 371873 reaction equation
HRID 371873As productuspto-grants-1978_05
HRID 371874 reaction equation
HRID 371874As reactantuspto-grants-1978_05
HRID 694591 reaction equation
HRID 694591As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 866958 reaction equation
HRID 866958As productuspto-grants-1978_07
HRID 866959 reaction equation
HRID 866959As reactantuspto-grants-1978_07
HRID 1605597 reaction equation
HRID 1605597As productuspto-grants-1976_04
HRID 1605598 reaction equation
HRID 1605598As reactantuspto-grants-1976_04

Compound notes

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