2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine

C16H15BrN2S — CID 105139399

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
SMILESCNC(Cc1sccc1Br)c1cccc2cccnc12
InChIInChI=1S/C16H15BrN2S/c1-18-14(10-15-13(17)7-9-20-15)12-6-2-4-11-5-3-8-19-16(11)12/h2-9,14,18H,10H2,1H3
InChIKeyXFFIEMCPWCIKAE-UHFFFAOYSA-N
MW347.28 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine

2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine (PubChem CID 105139399) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
PubChem CID105139399
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
SMILESCNC(Cc1sccc1Br)c1cccc2cccnc12
InChIInChI=1S/C16H15BrN2S/c1-18-14(10-15-13(17)7-9-20-15)12-6-2-4-11-5-3-8-19-16(11)12/h2-9,14,18H,10H2,1H3
InChIKeyXFFIEMCPWCIKAE-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-quinolin-8-ylbut-3-yn-1-amine
CID 105077186
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070
1-(5-bromoquinolin-8-yl)-2-(3-bromothiophen-2-yl)ethanol
CID 115959968
1-(5-bromothiophen-3-yl)-N-methyl-1-quinolin-8-ylmethanamine
CID 105172538
1-(1,3-benzothiazol-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115380744

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine (CID 105139399) is 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine is CNC(Cc1sccc1Br)c1cccc2cccnc12.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine?
The InChIKey is XFFIEMCPWCIKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-18-14(10-15-13(17)7-9-20-15)12-6-2-4-11-5-3-8-19-16(11)12/h2-9,14,18H,10H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine has a molecular weight of 347.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine is sourced from PubChem (CID 105139399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).