4-(3-chlorophenyl)-2-methylaniline

C13H12ClN — CID 23005189

IUPAC4-(3-chlorophenyl)-2-methylaniline
SMILESCc1cc(-c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C13H12ClN/c1-9-7-11(5-6-13(9)15)10-3-2-4-12(14)8-10/h2-8H,15H2,1H3
InChIKeyKWZLGXBMZDGQKK-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.90
Rot. Bonds1

About 4-(3-chlorophenyl)-2-methylaniline

4-(3-chlorophenyl)-2-methylaniline (PubChem CID 23005189) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methylaniline.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methylaniline
PubChem CID23005189
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name4-(3-chlorophenyl)-2-methylaniline
SMILESCc1cc(-c2cccc(Cl)c2)ccc1N
InChIInChI=1S/C13H12ClN/c1-9-7-11(5-6-13(9)15)10-3-2-4-12(14)8-10/h2-8H,15H2,1H3
InChIKeyKWZLGXBMZDGQKK-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methylaniline?
The IUPAC name of 4-(3-chlorophenyl)-2-methylaniline (CID 23005189) is 4-(3-chlorophenyl)-2-methylaniline.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methylaniline?
The canonical SMILES for 4-(3-chlorophenyl)-2-methylaniline is Cc1cc(-c2cccc(Cl)c2)ccc1N.
What is the InChIKey of 4-(3-chlorophenyl)-2-methylaniline?
The InChIKey is KWZLGXBMZDGQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c1-9-7-11(5-6-13(9)15)10-3-2-4-12(14)8-10/h2-8H,15H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-methylaniline?
4-(3-chlorophenyl)-2-methylaniline has a molecular weight of 217.70 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methylaniline is sourced from PubChem (CID 23005189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).