N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine

C20H19FN2 — CID 175457647

IUPACN-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
SMILESFc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3
InChIInChI=1S/C20H19FN2/c21-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)23-19)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
InChIKeyWQEKBPVYQIEUAO-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.86
Rot. Bonds3

About N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine

N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 175457647) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound NameN-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
PubChem CID175457647
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC NameN-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine
SMILESFc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3
InChIInChI=1S/C20H19FN2/c21-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)23-19)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23)
InChIKeyWQEKBPVYQIEUAO-UHFFFAOYSA-N
XLogP4.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine (CID 175457647) is N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine is Fc1ccc2nc3c(c(NCc4ccccc4)c2c1)CCCC3.
What is the InChIKey of N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is WQEKBPVYQIEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c21-15-10-11-19-17(12-15)20(16-8-4-5-9-18(16)23-19)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2,(H,22,23).
What are the key properties of N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine?
N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 306.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-fluoro-1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 175457647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).