2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine

C17H17BrN2S — CID 63097218

IUPAC2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1ccc2ncccc2c1
InChIInChI=1S/C17H17BrN2S/c1-2-19-16(11-14-6-8-17(18)21-14)13-5-7-15-12(10-13)4-3-9-20-15/h3-10,16,19H,2,11H2,1H3
InChIKeyHZHIJERXQXHLDY-UHFFFAOYSA-N
MW361.31 g/mol
LogP4.95
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine

2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine (PubChem CID 63097218) has the molecular formula C17H17BrN2S and a molecular weight of 361.31 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
PubChem CID63097218
Molecular FormulaC17H17BrN2S
Molecular Weight361.31 g/mol
Exact Mass360.03
IUPAC Name2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1ccc2ncccc2c1
InChIInChI=1S/C17H17BrN2S/c1-2-19-16(11-14-6-8-17(18)21-14)13-5-7-15-12(10-13)4-3-9-20-15/h3-10,16,19H,2,11H2,1H3
InChIKeyHZHIJERXQXHLDY-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylethanamine
CID 63097564
N-[(5-bromothiophen-2-yl)-quinolin-6-ylmethyl]propan-1-amine
CID 78917639
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711
N-ethyl-1-quinolin-6-ylbut-3-en-1-amine
CID 55181079
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 115841239
N-ethyl-2-methylsulfonyl-1-quinolin-6-ylethanamine
CID 105021031
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N-[(2-bromofuran-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 106858324
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
N-[(5-chlorothiophen-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 78917810
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
N-ethyl-2,2-dimethoxy-1-quinolin-6-ylethanamine
CID 81232075

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine (CID 63097218) is 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine is CCNC(Cc1ccc(Br)s1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine?
The InChIKey is HZHIJERXQXHLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2S/c1-2-19-16(11-14-6-8-17(18)21-14)13-5-7-15-12(10-13)4-3-9-20-15/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine?
2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine has a molecular weight of 361.31 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-ethyl-1-quinolin-6-ylethanamine is sourced from PubChem (CID 63097218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).