1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine

C17H17BrN2O — CID 104653173

IUPAC1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine
SMILESCC(NCCc1cccc2cccnc12)c1ccc(Br)o1
InChIInChI=1S/C17H17BrN2O/c1-12(15-7-8-16(18)21-15)19-11-9-14-5-2-4-13-6-3-10-20-17(13)14/h2-8,10,12,19H,9,11H2,1H3
InChIKeyXMUWZBCSEONHHF-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.48
Rot. Bonds5

About 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine

1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine (PubChem CID 104653173) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine
PubChem CID104653173
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine
SMILESCC(NCCc1cccc2cccnc12)c1ccc(Br)o1
InChIInChI=1S/C17H17BrN2O/c1-12(15-7-8-16(18)21-15)19-11-9-14-5-2-4-13-6-3-10-20-17(13)14/h2-8,10,12,19H,9,11H2,1H3
InChIKeyXMUWZBCSEONHHF-UHFFFAOYSA-N
XLogP4.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(2-quinolin-8-ylethyl)ethanamine
CID 79692541
N-(2-quinolin-8-ylethyl)hexan-2-amine
CID 81298453
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
N-[2-(2-methylpropoxy)ethyl]-2-quinolin-8-ylethanamine
CID 106452343
(2S)-2-amino-3-methyl-N-(2-quinolin-8-ylethyl)butanamide
CID 81427163
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
N-[1-(5-bromofuran-2-yl)ethyl]but-3-yn-1-amine
CID 104653023
2-quinolin-8-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81428422

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine (CID 104653173) is 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine is CC(NCCc1cccc2cccnc12)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine?
The InChIKey is XMUWZBCSEONHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12(15-7-8-16(18)21-15)19-11-9-14-5-2-4-13-6-3-10-20-17(13)14/h2-8,10,12,19H,9,11H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine?
1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine has a molecular weight of 345.24 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-(2-quinolin-8-ylethyl)ethanamine is sourced from PubChem (CID 104653173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).