5-(4-aminophenyl)-2-methylaniline

C13H14N2 — CID 68788638

IUPAC5-(4-aminophenyl)-2-methylaniline
SMILESCc1ccc(-c2ccc(N)cc2)cc1N
InChIInChI=1S/C13H14N2/c1-9-2-3-11(8-13(9)15)10-4-6-12(14)7-5-10/h2-8H,14-15H2,1H3
InChIKeyOMDYZZPPDGIDJG-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.83
Rot. Bonds1

About 5-(4-aminophenyl)-2-methylaniline

5-(4-aminophenyl)-2-methylaniline (PubChem CID 68788638) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(4-aminophenyl)-2-methylaniline.

Molecular Properties

Compound Name5-(4-aminophenyl)-2-methylaniline
PubChem CID68788638
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-(4-aminophenyl)-2-methylaniline
SMILESCc1ccc(-c2ccc(N)cc2)cc1N
InChIInChI=1S/C13H14N2/c1-9-2-3-11(8-13(9)15)10-4-6-12(14)7-5-10/h2-8H,14-15H2,1H3
InChIKeyOMDYZZPPDGIDJG-UHFFFAOYSA-N
XLogP2.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-2-methylaniline?
The IUPAC name of 5-(4-aminophenyl)-2-methylaniline (CID 68788638) is 5-(4-aminophenyl)-2-methylaniline.
What is the SMILES notation for 5-(4-aminophenyl)-2-methylaniline?
The canonical SMILES for 5-(4-aminophenyl)-2-methylaniline is Cc1ccc(-c2ccc(N)cc2)cc1N.
What is the InChIKey of 5-(4-aminophenyl)-2-methylaniline?
The InChIKey is OMDYZZPPDGIDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-2-3-11(8-13(9)15)10-4-6-12(14)7-5-10/h2-8H,14-15H2,1H3.
What are the key properties of 5-(4-aminophenyl)-2-methylaniline?
5-(4-aminophenyl)-2-methylaniline has a molecular weight of 198.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-2-methylaniline is sourced from PubChem (CID 68788638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).