7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine

C19H16Br2N2O — CID 44537313

IUPAC7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc(Oc4ccc(Br)cc4Br)cc13)CCCC2
InChIInChI=1S/C19H16Br2N2O/c20-11-5-8-18(15(21)9-11)24-12-6-7-17-14(10-12)19(22)13-3-1-2-4-16(13)23-17/h5-10H,1-4H2,(H2,22,23)
InChIKeyJMXNMDSRGXWJAQ-UHFFFAOYSA-N
MW448.16 g/mol
LogP6.01
Rot. Bonds2

About 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine

7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 44537313) has the molecular formula C19H16Br2N2O and a molecular weight of 448.16 g/mol. Its IUPAC name is 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID44537313
Molecular FormulaC19H16Br2N2O
Molecular Weight448.16 g/mol
Exact Mass445.96
IUPAC Name7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccc(Oc4ccc(Br)cc4Br)cc13)CCCC2
InChIInChI=1S/C19H16Br2N2O/c20-11-5-8-18(15(21)9-11)24-12-6-7-17-14(10-12)19(22)13-3-1-2-4-16(13)23-17/h5-10H,1-4H2,(H2,22,23)
InChIKeyJMXNMDSRGXWJAQ-UHFFFAOYSA-N
XLogP6.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.16
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine (CID 44537313) is 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3ccc(Oc4ccc(Br)cc4Br)cc13)CCCC2.
What is the InChIKey of 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is JMXNMDSRGXWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N2O/c20-11-5-8-18(15(21)9-11)24-12-6-7-17-14(10-12)19(22)13-3-1-2-4-16(13)23-17/h5-10H,1-4H2,(H2,22,23).
What are the key properties of 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine?
7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 448.16 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dibromophenoxy)-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 44537313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).