2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine

C15H13BrN2S — CID 63222511

IUPAC2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
SMILESNC(Cc1cc(Br)cs1)c1ccc2ccccc2n1
InChIInChI=1S/C15H13BrN2S/c16-11-7-12(19-9-11)8-13(17)15-6-5-10-3-1-2-4-14(10)18-15/h1-7,9,13H,8,17H2
InChIKeyCCKKKDXKWRXYTR-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine

2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine (PubChem CID 63222511) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
PubChem CID63222511
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine
SMILESNC(Cc1cc(Br)cs1)c1ccc2ccccc2n1
InChIInChI=1S/C15H13BrN2S/c16-11-7-12(19-9-11)8-13(17)15-6-5-10-3-1-2-4-14(10)18-15/h1-7,9,13H,8,17H2
InChIKeyCCKKKDXKWRXYTR-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-1-quinolin-2-ylethanamine
CID 63222850
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine
CID 62601265
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine
CID 82910390
2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105139215
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-amine
CID 105139176
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine (CID 63222511) is 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine is NC(Cc1cc(Br)cs1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine?
The InChIKey is CCKKKDXKWRXYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c16-11-7-12(19-9-11)8-13(17)15-6-5-10-3-1-2-4-14(10)18-15/h1-7,9,13H,8,17H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine?
2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine has a molecular weight of 333.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-quinolin-2-ylethanamine is sourced from PubChem (CID 63222511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).