4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

C14H17BrN2 — CID 2327152

IUPAC4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2c(Br)ccc(N(C)C)c12
InChIInChI=1S/C14H17BrN2/c1-16(2)12-7-5-6-10-11(15)8-9-13(14(10)12)17(3)4/h5-9H,1-4H3
InChIKeyGYLDAZCRYBOLCY-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.73
Rot. Bonds2

About 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (PubChem CID 2327152) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
PubChem CID2327152
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2c(Br)ccc(N(C)C)c12
InChIInChI=1S/C14H17BrN2/c1-16(2)12-7-5-6-10-11(15)8-9-13(14(10)12)17(3)4/h5-9H,1-4H3
InChIKeyGYLDAZCRYBOLCY-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The IUPAC name of 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (CID 2327152) is 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.
What is the SMILES notation for 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The canonical SMILES for 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is CN(C)c1cccc2c(Br)ccc(N(C)C)c12.
What is the InChIKey of 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The InChIKey is GYLDAZCRYBOLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-16(2)12-7-5-6-10-11(15)8-9-13(14(10)12)17(3)4/h5-9H,1-4H3.
What are the key properties of 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine has a molecular weight of 293.21 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is sourced from PubChem (CID 2327152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).