2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine

C15H13BrN2S — CID 105134595

IUPAC2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1ccc(Br)s1)c1cccc2ncccc12
InChIInChI=1S/C15H13BrN2S/c16-15-7-6-10(19-15)9-13(17)11-3-1-5-14-12(11)4-2-8-18-14/h1-8,13H,9,17H2
InChIKeyVEHKENVDSSPZSI-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.30
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine

2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine (PubChem CID 105134595) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
PubChem CID105134595
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
SMILESNC(Cc1ccc(Br)s1)c1cccc2ncccc12
InChIInChI=1S/C15H13BrN2S/c16-15-7-6-10(19-15)9-13(17)11-3-1-5-14-12(11)4-2-8-18-14/h1-8,13H,9,17H2
InChIKeyVEHKENVDSSPZSI-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-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
2-(5-chlorothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105135125
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860
2-(furan-3-yl)-1-quinolin-5-ylethanamine
CID 105177642
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
2-(3-bromo-5-fluorophenyl)-1-quinolin-5-ylethanamine
CID 105169391
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
CID 81231313

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine (CID 105134595) is 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine is NC(Cc1ccc(Br)s1)c1cccc2ncccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine?
The InChIKey is VEHKENVDSSPZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c16-15-7-6-10(19-15)9-13(17)11-3-1-5-14-12(11)4-2-8-18-14/h1-8,13H,9,17H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine?
2-(5-bromothiophen-2-yl)-1-quinolin-5-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-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine is sourced from PubChem (CID 105134595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).