5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride

C13H13Br2ClN2 — CID 164610341

IUPAC5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCC2
InChIInChI=1S/C13H12Br2N2.ClH/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7;/h5-6H,1-4H2,(H2,16,17);1H
InChIKeyKJLCMEJEGPBNIW-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.64
Rot. Bonds

About 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride

5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (PubChem CID 164610341) has the molecular formula C13H13Br2ClN2 and a molecular weight of 392.52 g/mol. Its IUPAC name is 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.

Molecular Properties

Compound Name5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
PubChem CID164610341
Molecular FormulaC13H13Br2ClN2
Molecular Weight392.52 g/mol
Exact Mass389.91
IUPAC Name5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCC2
InChIInChI=1S/C13H12Br2N2.ClH/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7;/h5-6H,1-4H2,(H2,16,17);1H
InChIKeyKJLCMEJEGPBNIW-UHFFFAOYSA-N
XLogP4.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The IUPAC name of 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (CID 164610341) is 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.
What is the SMILES notation for 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The canonical SMILES for 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is Cl.Nc1c2c(nc3c(Br)cc(Br)cc13)CCCC2.
What is the InChIKey of 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The InChIKey is KJLCMEJEGPBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2.ClH/c14-7-5-9-12(16)8-3-1-2-4-11(8)17-13(9)10(15)6-7;/h5-6H,1-4H2,(H2,16,17);1H.
What are the key properties of 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride has a molecular weight of 392.52 g/mol, XLogP of 4.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is sourced from PubChem (CID 164610341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).