2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine

C18H23BrN2O2 — CID 171921336

IUPAC2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
SMILESCOc1ccc(OC)c(-c2c(N(C)C)cccc2N(C)C)c1Br
InChIInChI=1S/C18H23BrN2O2/c1-20(2)12-8-7-9-13(21(3)4)16(12)17-14(22-5)10-11-15(23-6)18(17)19/h7-11H,1-6H3
InChIKeyIAZZKJSYJGTEJG-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.27
Rot. Bonds5

About 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine

2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine (PubChem CID 171921336) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
PubChem CID171921336
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
SMILESCOc1ccc(OC)c(-c2c(N(C)C)cccc2N(C)C)c1Br
InChIInChI=1S/C18H23BrN2O2/c1-20(2)12-8-7-9-13(21(3)4)16(12)17-14(22-5)10-11-15(23-6)18(17)19/h7-11H,1-6H3
InChIKeyIAZZKJSYJGTEJG-UHFFFAOYSA-N
XLogP4.27
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine?
The IUPAC name of 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine (CID 171921336) is 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine.
What is the SMILES notation for 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine?
The canonical SMILES for 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine is COc1ccc(OC)c(-c2c(N(C)C)cccc2N(C)C)c1Br.
What is the InChIKey of 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine?
The InChIKey is IAZZKJSYJGTEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-20(2)12-8-7-9-13(21(3)4)16(12)17-14(22-5)10-11-15(23-6)18(17)19/h7-11H,1-6H3.
What are the key properties of 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine?
2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine has a molecular weight of 379.30 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,6-dimethoxyphenyl)-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine is sourced from PubChem (CID 171921336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).