2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine

C15H23BrN2O — CID 106885610

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine
SMILESNCC(c1occc1Br)N1CCCC2CCCCC21
InChIInChI=1S/C15H23BrN2O/c16-12-7-9-19-15(12)14(10-17)18-8-3-5-11-4-1-2-6-13(11)18/h7,9,11,13-14H,1-6,8,10,17H2
InChIKeyFZGYYFMRUNWDEG-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.70
Rot. Bonds3

About 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine (PubChem CID 106885610) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine
PubChem CID106885610
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine
SMILESNCC(c1occc1Br)N1CCCC2CCCCC21
InChIInChI=1S/C15H23BrN2O/c16-12-7-9-19-15(12)14(10-17)18-8-3-5-11-4-1-2-6-13(11)18/h7,9,11,13-14H,1-6,8,10,17H2
InChIKeyFZGYYFMRUNWDEG-UHFFFAOYSA-N
XLogP3.70
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine (CID 106885610) is 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine is NCC(c1occc1Br)N1CCCC2CCCCC21.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
The InChIKey is FZGYYFMRUNWDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c16-12-7-9-19-15(12)14(10-17)18-8-3-5-11-4-1-2-6-13(11)18/h7,9,11,13-14H,1-6,8,10,17H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine?
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3-bromofuran-2-yl)ethanamine is sourced from PubChem (CID 106885610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).