5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine

C14H15FN2 — CID 55045940

IUPAC5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1cc(F)c2nc3c(c(N)c2c1)CCCC3
InChIInChI=1S/C14H15FN2/c1-8-6-10-13(16)9-4-2-3-5-12(9)17-14(10)11(15)7-8/h6-7H,2-5H2,1H3,(H2,16,17)
InChIKeyPMOXCGFIEHXSQK-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.14
Rot. Bonds

About 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine

5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 55045940) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Name5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID55045940
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine
SMILESCc1cc(F)c2nc3c(c(N)c2c1)CCCC3
InChIInChI=1S/C14H15FN2/c1-8-6-10-13(16)9-4-2-3-5-12(9)17-14(10)11(15)7-8/h6-7H,2-5H2,1H3,(H2,16,17)
InChIKeyPMOXCGFIEHXSQK-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine (CID 55045940) is 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine is Cc1cc(F)c2nc3c(c(N)c2c1)CCCC3.
What is the InChIKey of 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is PMOXCGFIEHXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-8-6-10-13(16)9-4-2-3-5-12(9)17-14(10)11(15)7-8/h6-7H,2-5H2,1H3,(H2,16,17).
What are the key properties of 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine?
5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 230.29 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 55045940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).