6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine

C23H25ClN2O2 — CID 122199184

IUPAC6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC
InChIInChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-14-16(24)8-9-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)
InChIKeyRUXUXXGSLJSRTL-UHFFFAOYSA-N
MW396.92 g/mol
LogP5.44
Rot. Bonds6

About 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine

6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 122199184) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID122199184
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine
SMILESCOc1ccc(CCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC
InChIInChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-14-16(24)8-9-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26)
InChIKeyRUXUXXGSLJSRTL-UHFFFAOYSA-N
XLogP5.44
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.92
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine (CID 122199184) is 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine is COc1ccc(CCNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC.
What is the InChIKey of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is RUXUXXGSLJSRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-27-21-10-7-15(13-22(21)28-2)11-12-25-23-17-5-3-4-6-19(17)26-20-14-16(24)8-9-18(20)23/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,25,26).
What are the key properties of 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine?
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 396.92 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 122199184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).