1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine

C15H17BrN2 — CID 82451294

IUPAC1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
SMILESCC(N)c1c2c(nc3c(Br)cccc13)CCCC2
InChIInChI=1S/C15H17BrN2/c1-9(17)14-10-5-2-3-8-13(10)18-15-11(14)6-4-7-12(15)16/h4,6-7,9H,2-3,5,8,17H2,1H3
InChIKeyYAOAJPPGZOFUEO-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.90
Rot. Bonds1

About 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine

1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine (PubChem CID 82451294) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
PubChem CID82451294
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
SMILESCC(N)c1c2c(nc3c(Br)cccc13)CCCC2
InChIInChI=1S/C15H17BrN2/c1-9(17)14-10-5-2-3-8-13(10)18-15-11(14)6-4-7-12(15)16/h4,6-7,9H,2-3,5,8,17H2,1H3
InChIKeyYAOAJPPGZOFUEO-UHFFFAOYSA-N
XLogP3.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
The IUPAC name of 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine (CID 82451294) is 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine is CC(N)c1c2c(nc3c(Br)cccc13)CCCC2.
What is the InChIKey of 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
The InChIKey is YAOAJPPGZOFUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-9(17)14-10-5-2-3-8-13(10)18-15-11(14)6-4-7-12(15)16/h4,6-7,9H,2-3,5,8,17H2,1H3.
What are the key properties of 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine?
1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine has a molecular weight of 305.22 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,2,3,4-tetrahydroacridin-9-yl)ethanamine is sourced from PubChem (CID 82451294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).