2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol

C22H24N2O2 — CID 134924080

IUPAC2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(CNc2ccccc2)c(CNc2ccccc2)c1O
InChIInChI=1S/C22H24N2O2/c1-15-16(2)22(26)20(14-24-18-11-7-4-8-12-18)19(21(15)25)13-23-17-9-5-3-6-10-17/h3-12,23-26H,13-14H2,1-2H3
InChIKeyGWNBQEDUMWBGDR-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.94
Rot. Bonds6

About 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol

2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol (PubChem CID 134924080) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol
PubChem CID134924080
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol
SMILESCc1c(C)c(O)c(CNc2ccccc2)c(CNc2ccccc2)c1O
InChIInChI=1S/C22H24N2O2/c1-15-16(2)22(26)20(14-24-18-11-7-4-8-12-18)19(21(15)25)13-23-17-9-5-3-6-10-17/h3-12,23-26H,13-14H2,1-2H3
InChIKeyGWNBQEDUMWBGDR-UHFFFAOYSA-N
XLogP4.94
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol?
The IUPAC name of 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol (CID 134924080) is 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol.
What is the SMILES notation for 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol?
The canonical SMILES for 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol is Cc1c(C)c(O)c(CNc2ccccc2)c(CNc2ccccc2)c1O.
What is the InChIKey of 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol?
The InChIKey is GWNBQEDUMWBGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-16(2)22(26)20(14-24-18-11-7-4-8-12-18)19(21(15)25)13-23-17-9-5-3-6-10-17/h3-12,23-26H,13-14H2,1-2H3.
What are the key properties of 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol?
2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol has a molecular weight of 348.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(anilinomethyl)-5,6-dimethylbenzene-1,4-diol is sourced from PubChem (CID 134924080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).