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

C13H14BrClN2 — CID 164597080

IUPAC7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C13H13BrN2.ClH/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;/h5-7H,1-4H2,(H2,15,16);1H
InChIKeyMDJWPTPEQNDAHE-UHFFFAOYSA-N
MW313.63 g/mol
LogP3.88
Rot. Bonds

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

7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (PubChem CID 164597080) has the molecular formula C13H14BrClN2 and a molecular weight of 313.63 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
PubChem CID164597080
Molecular FormulaC13H14BrClN2
Molecular Weight313.63 g/mol
Exact Mass312.00
IUPAC Name7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride
SMILESCl.Nc1c2c(nc3ccc(Br)cc13)CCCC2
InChIInChI=1S/C13H13BrN2.ClH/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;/h5-7H,1-4H2,(H2,15,16);1H
InChIKeyMDJWPTPEQNDAHE-UHFFFAOYSA-N
XLogP3.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride (CID 164597080) is 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is Cl.Nc1c2c(nc3ccc(Br)cc13)CCCC2.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
The InChIKey is MDJWPTPEQNDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2.ClH/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12;/h5-7H,1-4H2,(H2,15,16);1H.
What are the key properties of 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride?
7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride has a molecular weight of 313.63 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydroacridin-9-amine;hydrochloride is sourced from PubChem (CID 164597080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).