1-(4-methylphenyl)-N,N'-diphenylmethanediamine

C20H20N2 — CID 87483372

IUPAC1-(4-methylphenyl)-N,N'-diphenylmethanediamine
SMILESCc1ccc(C(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C20H20N2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20-22H,1H3
InChIKeyJARGVJOPUSRHLL-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.22
Rot. Bonds5

About 1-(4-methylphenyl)-N,N'-diphenylmethanediamine

1-(4-methylphenyl)-N,N'-diphenylmethanediamine (PubChem CID 87483372) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N,N'-diphenylmethanediamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N,N'-diphenylmethanediamine
PubChem CID87483372
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-(4-methylphenyl)-N,N'-diphenylmethanediamine
SMILESCc1ccc(C(Nc2ccccc2)Nc2ccccc2)cc1
InChIInChI=1S/C20H20N2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20-22H,1H3
InChIKeyJARGVJOPUSRHLL-UHFFFAOYSA-N
XLogP5.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N,N'-diphenylmethanediamine?
The IUPAC name of 1-(4-methylphenyl)-N,N'-diphenylmethanediamine (CID 87483372) is 1-(4-methylphenyl)-N,N'-diphenylmethanediamine.
What is the SMILES notation for 1-(4-methylphenyl)-N,N'-diphenylmethanediamine?
The canonical SMILES for 1-(4-methylphenyl)-N,N'-diphenylmethanediamine is Cc1ccc(C(Nc2ccccc2)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N,N'-diphenylmethanediamine?
The InChIKey is JARGVJOPUSRHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-16-12-14-17(15-13-16)20(21-18-8-4-2-5-9-18)22-19-10-6-3-7-11-19/h2-15,20-22H,1H3.
What are the key properties of 1-(4-methylphenyl)-N,N'-diphenylmethanediamine?
1-(4-methylphenyl)-N,N'-diphenylmethanediamine has a molecular weight of 288.39 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N,N'-diphenylmethanediamine is sourced from PubChem (CID 87483372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).