2-N,2-N-diphenylbenzene-1,2-diamine

C18H16N2 — CID 12670396

IUPAC2-N,2-N-diphenylbenzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2
InChIKeyNSFSAHIOBUAWGP-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.74
Rot. Bonds3

About 2-N,2-N-diphenylbenzene-1,2-diamine

2-N,2-N-diphenylbenzene-1,2-diamine (PubChem CID 12670396) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-N,2-N-diphenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diphenylbenzene-1,2-diamine
PubChem CID12670396
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-N,2-N-diphenylbenzene-1,2-diamine
SMILESNc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N2/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2
InChIKeyNSFSAHIOBUAWGP-UHFFFAOYSA-N
XLogP4.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
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 2-N,2-N-diphenylbenzene-1,2-diamine?
The IUPAC name of 2-N,2-N-diphenylbenzene-1,2-diamine (CID 12670396) is 2-N,2-N-diphenylbenzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diphenylbenzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diphenylbenzene-1,2-diamine is Nc1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-N,2-N-diphenylbenzene-1,2-diamine?
The InChIKey is NSFSAHIOBUAWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,19H2.
What are the key properties of 2-N,2-N-diphenylbenzene-1,2-diamine?
2-N,2-N-diphenylbenzene-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenylbenzene-1,2-diamine is sourced from PubChem (CID 12670396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).