1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine

C22H24N2 — CID 91591802

IUPAC1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine
SMILESCCNc1ccc(-c2ccccc2)c(-c2ccccc2)c1NCC
InChIInChI=1S/C22H24N2/c1-3-23-20-16-15-19(17-11-7-5-8-12-17)21(22(20)24-4-2)18-13-9-6-10-14-18/h5-16,23-24H,3-4H2,1-2H3
InChIKeyNXODXMLWILFUJX-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.88
Rot. Bonds6

About 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine

1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine (PubChem CID 91591802) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine
PubChem CID91591802
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine
SMILESCCNc1ccc(-c2ccccc2)c(-c2ccccc2)c1NCC
InChIInChI=1S/C22H24N2/c1-3-23-20-16-15-19(17-11-7-5-8-12-17)21(22(20)24-4-2)18-13-9-6-10-14-18/h5-16,23-24H,3-4H2,1-2H3
InChIKeyNXODXMLWILFUJX-UHFFFAOYSA-N
XLogP5.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine (CID 91591802) is 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine is CCNc1ccc(-c2ccccc2)c(-c2ccccc2)c1NCC.
What is the InChIKey of 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine?
The InChIKey is NXODXMLWILFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-3-23-20-16-15-19(17-11-7-5-8-12-17)21(22(20)24-4-2)18-13-9-6-10-14-18/h5-16,23-24H,3-4H2,1-2H3.
What are the key properties of 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine?
1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine has a molecular weight of 316.45 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-3,4-diphenylbenzene-1,2-diamine is sourced from PubChem (CID 91591802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).