2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine

C16H15BrN2S — CID 105134705

IUPAC2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)s2)c2ccccc2n1
InChIInChI=1S/C16H15BrN2S/c1-10-8-13(12-4-2-3-5-15(12)19-10)14(18)9-11-6-7-16(17)20-11/h2-8,14H,9,18H2,1H3
InChIKeyWTWHRGMGZJQUSI-UHFFFAOYSA-N
MW347.28 g/mol
LogP4.61
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine (PubChem CID 105134705) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
PubChem CID105134705
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccc(Br)s2)c2ccccc2n1
InChIInChI=1S/C16H15BrN2S/c1-10-8-13(12-4-2-3-5-15(12)19-10)14(18)9-11-6-7-16(17)20-11/h2-8,14H,9,18H2,1H3
InChIKeyWTWHRGMGZJQUSI-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087602
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
1-(2-methylquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178009
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087104
2-(3-methylphenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105091263
2-(5-ethylthiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79233820
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine (CID 105134705) is 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine is Cc1cc(C(N)Cc2ccc(Br)s2)c2ccccc2n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine?
The InChIKey is WTWHRGMGZJQUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-10-8-13(12-4-2-3-5-15(12)19-10)14(18)9-11-6-7-16(17)20-11/h2-8,14H,9,18H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine has a molecular weight of 347.28 g/mol, XLogP of 4.61, 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-(2-methylquinolin-4-yl)ethanamine is sourced from PubChem (CID 105134705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).