2-bromo-5,6-dihydrobenzo[c]acridin-7-amine

C17H13BrN2 — CID 46889356

IUPAC2-bromo-5,6-dihydrobenzo[c]acridin-7-amine
SMILESNc1c2c(nc3ccccc13)-c1cc(Br)ccc1CC2
InChIInChI=1S/C17H13BrN2/c18-11-7-5-10-6-8-13-16(19)12-3-1-2-4-15(12)20-17(13)14(10)9-11/h1-5,7,9H,6,8H2,(H2,19,20)
InChIKeyZHCIZNYIQLXSOR-UHFFFAOYSA-N
MW325.21 g/mol
LogP4.35
Rot. Bonds

About 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine

2-bromo-5,6-dihydrobenzo[c]acridin-7-amine (PubChem CID 46889356) has the molecular formula C17H13BrN2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine.

Molecular Properties

Compound Name2-bromo-5,6-dihydrobenzo[c]acridin-7-amine
PubChem CID46889356
Molecular FormulaC17H13BrN2
Molecular Weight325.21 g/mol
Exact Mass324.03
IUPAC Name2-bromo-5,6-dihydrobenzo[c]acridin-7-amine
SMILESNc1c2c(nc3ccccc13)-c1cc(Br)ccc1CC2
InChIInChI=1S/C17H13BrN2/c18-11-7-5-10-6-8-13-16(19)12-3-1-2-4-15(12)20-17(13)14(10)9-11/h1-5,7,9H,6,8H2,(H2,19,20)
InChIKeyZHCIZNYIQLXSOR-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine?
The IUPAC name of 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine (CID 46889356) is 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine.
What is the SMILES notation for 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine?
The canonical SMILES for 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine is Nc1c2c(nc3ccccc13)-c1cc(Br)ccc1CC2.
What is the InChIKey of 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine?
The InChIKey is ZHCIZNYIQLXSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2/c18-11-7-5-10-6-8-13-16(19)12-3-1-2-4-15(12)20-17(13)14(10)9-11/h1-5,7,9H,6,8H2,(H2,19,20).
What are the key properties of 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine?
2-bromo-5,6-dihydrobenzo[c]acridin-7-amine has a molecular weight of 325.21 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dihydrobenzo[c]acridin-7-amine is sourced from PubChem (CID 46889356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).