3-Bromo-5-(methoxymethyl)aniline

HCID 67248941

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COCc1cc(N)cc(Br)c1
InChIKey: LPANWLUAVTVNRL-UHFFFAOYSA-N
Molecular formula: C8H10BrNO
Average molar mass: 216.07 g/mol

Names & identifiers

Preferred name: 3-Bromo-5-(methoxymethyl)aniline
IUPAC: 3-bromo-5-(methoxymethyl)aniline

Names & synonyms

3-bromo-5-(methoxymethyl)aniline1251863-50-93-bromo-5-(methoxymethyl)benzenamineSCHEMBL2016467SCHEMBL31500478LPANWLUAVTVNRL-UHFFFAOYSA-NCS-43041DB-339218

Database identifiers

PubChem CID: 67248941

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 121

Related reactions

6 records

New reaction record

HRID 410404As productuspto-grants-2014_06

HRID 410405As reactantuspto-grants-2014_06

HRID 806104As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1039894As productuspto-grants-2013_10

HRID 1039895As reactantuspto-grants-2013_10

HRID 2328819As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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