4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane

C₁₅H₂₁N₃ — CID 155059275

About 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane

4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane (PubChem CID 155059275) has the molecular formula C₁₅H₂₁N₃ and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane.

Molecular Properties

• Compound Name: 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
• PubChem CID: 155059275
• Molecular Formula: C₁₅H₂₁N₃
• Molecular Weight: 243.35 g/mol
• Exact Mass: 243.17
• IUPAC Name: 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
• SMILES: Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.N
• InChI: InChI=1S/C15H18N2.H3N/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;/h3-8H,9,16-17H2,1-2H3;1H3
• InChIKey: LIDWIKMMYWJKDT-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 87.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	243.35
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?

The IUPAC name of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane (CID 155059275) is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane.

What is the SMILES notation for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?

The canonical SMILES for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane is Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.N.

What is the InChIKey of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?

The InChIKey is LIDWIKMMYWJKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.H3N/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;/h3-8H,9,16-17H2,1-2H3;1H3.

What are the key properties of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?

4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane has a molecular weight of 243.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane is sourced from PubChem (CID 155059275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155059275 — identifiers, structure, computed properties (public domain)

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