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[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methanamine

HCID 3559150
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
NCc1c(Cl)cccc1-n1cccc1
InChIKey
IDLDHFUUHRCITP-UHFFFAOYSA-N
Molecular formula
C11H11ClN2
Average molar mass
206.67 g/mol

Names & identifiers

Preferred name
[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methanamine
IUPAC
(2-chloro-6-pyrrol-1-ylphenyl)methanamine

Names & synonyms

[2-chloro-6-(1H-pyrrol-1-yl)phenyl]methanamine(2-chloro-6-pyrrol-1-ylphenyl)methanamine418762-88-6SCHEMBL3453119IDLDHFUUHRCITP-UHFFFAOYSA-NMFCD05670401AKOS015994279MS-31661-(2'-aminomethyl-3'-chlorophenyl)pyrrole1 -(2'-aminomethyl-3'-chlorophenyl)pyrrole

Database identifiers

PubChem CID
3559150

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
31 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
180

Related reactions

3 records
New reaction record
HRID 944929 reaction equation
HRID 944929As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1161638 reaction equation
HRID 1161638As productuspto-grants-2010_10
HRID 1270082 reaction equation
HRID 1270082As productuspto-grants-2007_04

Compound notes

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