diphenylmethanediamine

C13H14N2 — CID 3036810

IUPACdiphenylmethanediamine
SMILESNC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H14N2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14-15H2
InChIKeyZZTCPWRAHWXWCH-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.81
Rot. Bonds2

About diphenylmethanediamine

diphenylmethanediamine (PubChem CID 3036810) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is diphenylmethanediamine.

Molecular Properties

Compound Namediphenylmethanediamine
PubChem CID3036810
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Namediphenylmethanediamine
SMILESNC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H14N2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14-15H2
InChIKeyZZTCPWRAHWXWCH-UHFFFAOYSA-N
XLogP1.81
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.81
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 diphenylmethanediamine?
The IUPAC name of diphenylmethanediamine (CID 3036810) is diphenylmethanediamine.
What is the SMILES notation for diphenylmethanediamine?
The canonical SMILES for diphenylmethanediamine is NC(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanediamine?
The InChIKey is ZZTCPWRAHWXWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,14-15H2.
What are the key properties of diphenylmethanediamine?
diphenylmethanediamine has a molecular weight of 198.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanediamine is sourced from PubChem (CID 3036810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).