6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine

C15H18N2O2 — CID 10801196

IUPAC6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1cc2nc3c(c(N)c2cc1OC)CCCC3
InChIInChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyKZBQUUNPSWNEND-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds2

About 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine

6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 10801196) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID10801196
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1cc2nc3c(c(N)c2cc1OC)CCCC3
InChIInChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17)
InChIKeyKZBQUUNPSWNEND-UHFFFAOYSA-N
XLogP2.71
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine (CID 10801196) is 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine is COc1cc2nc3c(c(N)c2cc1OC)CCCC3.
What is the InChIKey of 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is KZBQUUNPSWNEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-13-7-10-12(8-14(13)19-2)17-11-6-4-3-5-9(11)15(10)16/h7-8H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine?
6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 258.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 10801196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).