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2-(4-Chloroanilino)-1-methylethylamine

HCID 18972775
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(N)CNc1ccc(Cl)cc1
InChIKey
GSNJVTLTVPUCLA-UHFFFAOYSA-N
Molecular formula
C9H13ClN2
Average molar mass
184.66 g/mol

Names & identifiers

Preferred name
2-(4-Chloroanilino)-1-methylethylamine
IUPAC
1-N-(4-chlorophenyl)propane-1,2-diamine

Names & synonyms

N1-(4-Chlorophenyl)propane-1,2-diamine167087-96-9SCHEMBL8606919GSNJVTLTVPUCLA-UHFFFAOYSA-NAKOS0234311322-(4-chloroanilino)-1-methylethylamine

Database identifiers

PubChem CID
18972775

Properties

Computed structural properties

XLogP
2
Topological polar surface area
38.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
122

Related reactions

2 records
New reaction record
HRID 686400 reaction equation
HRID 686400As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1900180 reaction equation
HRID 1900180As reactantuspto-grants-1996_11

Compound notes

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