6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine

C13H12Cl2N2 — CID 10858442

IUPAC6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
InChIKeyISUJWDYWYFLQFP-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.00
Rot. Bonds

About 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine

6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10858442) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10858442
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2
InChIInChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17)
InChIKeyISUJWDYWYFLQFP-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine (CID 10858442) is 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3cc(Cl)cc(Cl)c13)CCCC2.
What is the InChIKey of 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is ISUJWDYWYFLQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-7-5-9(15)12-11(6-7)17-10-4-2-1-3-8(10)13(12)16/h5-6H,1-4H2,(H2,16,17).
What are the key properties of 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine?
6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 267.16 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10858442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).