1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine

C20H20N2 — CID 519474

IUPAC1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C20H20N2/c1-21(17-9-5-3-6-10-17)19-13-15-20(16-14-19)22(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyHAXDASGWZHFNLP-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.22
Rot. Bonds4

About 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine

1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 519474) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID519474
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESCN(c1ccccc1)c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C20H20N2/c1-21(17-9-5-3-6-10-17)19-13-15-20(16-14-19)22(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyHAXDASGWZHFNLP-UHFFFAOYSA-N
XLogP5.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine (CID 519474) is 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine is CN(c1ccccc1)c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is HAXDASGWZHFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-21(17-9-5-3-6-10-17)19-13-15-20(16-14-19)22(2)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 288.39 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 519474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).