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2-Aminomethyl-5-methoxyaniline

HCID 53630728
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CN)c(N)c1
InChIKey
YTILCYHYGJAJCS-UHFFFAOYSA-N
Molecular formula
C8H12N2O
Average molar mass
152.19 g/mol

Names & identifiers

Preferred name
2-Aminomethyl-5-methoxyaniline
IUPAC
2-(aminomethyl)-5-methoxyaniline

Names & synonyms

2-(aminomethyl)-5-methoxyaniline101251-27-82-Aminomethyl-5-methoxy-phenylamine2-aminomethyl-5-methoxyaniline2-Amino-4-methoxybenzylaminSCHEMBL295346YTILCYHYGJAJCS-UHFFFAOYSA-NAKOS017518163SY454412DB-181423

Database identifiers

PubChem CID
53630728

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
61.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
119

Related reactions

5 records
New reaction record
HRID 655657 reaction equation
HRID 655657As reactantuspto-grants-2011_12
HRID 680848 reaction equation
HRID 680848As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1393950 reaction equation
HRID 1393950As productuspto-grants-2008_03
HRID 1559723 reaction equation
HRID 1559723As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1907381 reaction equation
HRID 1907381As reactantuspto-grants-2013_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes