N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

C16H19FN2O — CID 103996744

IUPACN-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCNc1c2c(nc3cc(F)c(OC)cc13)CCCC2
InChIInChI=1S/C16H19FN2O/c1-3-18-16-10-6-4-5-7-13(10)19-14-9-12(17)15(20-2)8-11(14)16/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyYINIGCJSACILTO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.69
Rot. Bonds3

About N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine

N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 103996744) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID103996744
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
SMILESCCNc1c2c(nc3cc(F)c(OC)cc13)CCCC2
InChIInChI=1S/C16H19FN2O/c1-3-18-16-10-6-4-5-7-13(10)19-14-9-12(17)15(20-2)8-11(14)16/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyYINIGCJSACILTO-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine (CID 103996744) is N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is CCNc1c2c(nc3cc(F)c(OC)cc13)CCCC2.
What is the InChIKey of N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is YINIGCJSACILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-3-18-16-10-6-4-5-7-13(10)19-14-9-12(17)15(20-2)8-11(14)16/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine?
N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 274.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 103996744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).