9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine

C18H19BrN2 — CID 91119396

IUPAC9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine
SMILESCN(C)c1cccc2cc3cccc(N(C)C)c3c(Br)c12
InChIInChI=1S/C18H19BrN2/c1-20(2)14-9-5-7-12-11-13-8-6-10-15(21(3)4)17(13)18(19)16(12)14/h5-11H,1-4H3
InChIKeyYVDXLGZDDLSHPF-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.89
Rot. Bonds2

About 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine

9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine (PubChem CID 91119396) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine.

Molecular Properties

Compound Name9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine
PubChem CID91119396
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine
SMILESCN(C)c1cccc2cc3cccc(N(C)C)c3c(Br)c12
InChIInChI=1S/C18H19BrN2/c1-20(2)14-9-5-7-12-11-13-8-6-10-15(21(3)4)17(13)18(19)16(12)14/h5-11H,1-4H3
InChIKeyYVDXLGZDDLSHPF-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine?
The IUPAC name of 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine (CID 91119396) is 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine.
What is the SMILES notation for 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine?
The canonical SMILES for 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine is CN(C)c1cccc2cc3cccc(N(C)C)c3c(Br)c12.
What is the InChIKey of 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine?
The InChIKey is YVDXLGZDDLSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-20(2)14-9-5-7-12-11-13-8-6-10-15(21(3)4)17(13)18(19)16(12)14/h5-11H,1-4H3.
What are the key properties of 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine?
9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine has a molecular weight of 343.27 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1-N,1-N,8-N,8-N-tetramethylanthracene-1,8-diamine is sourced from PubChem (CID 91119396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).