2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine

C17H15BrN2S — CID 81229156

IUPAC2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
SMILESNC(CSc1ccccc1Br)c1cccc2ncccc12
InChIInChI=1S/C17H15BrN2S/c18-14-7-1-2-9-17(14)21-11-15(19)12-5-3-8-16-13(12)6-4-10-20-16/h1-10,15H,11,19H2
InChIKeyGGUKKBPVFULMES-UHFFFAOYSA-N
MW359.29 g/mol
LogP4.79
Rot. Bonds4

About 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine

2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine (PubChem CID 81229156) has the molecular formula C17H15BrN2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
PubChem CID81229156
Molecular FormulaC17H15BrN2S
Molecular Weight359.29 g/mol
Exact Mass358.01
IUPAC Name2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine
SMILESNC(CSc1ccccc1Br)c1cccc2ncccc12
InChIInChI=1S/C17H15BrN2S/c18-14-7-1-2-9-17(14)21-11-15(19)12-5-3-8-16-13(12)6-4-10-20-16/h1-10,15H,11,19H2
InChIKeyGGUKKBPVFULMES-UHFFFAOYSA-N
XLogP4.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfanyl-1-quinolin-5-ylethanamine
CID 81229140
3-[1-amino-2-(2-bromophenyl)sulfanylethyl]pyridin-2-amine
CID 66145426
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
2-tert-butylsulfanyl-1-quinolin-5-ylethanamine
CID 81231907
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734
1-(2-amino-3-pyridinyl)-2-(2-bromophenyl)sulfanylethanol
CID 66144443
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-amine
CID 103028668
4-methyl-1-quinolin-5-ylpentan-1-amine
CID 81232092
(1R)-1-quinolin-5-ylethanamine
CID 55277010
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(2,6-dichlorophenyl)-1-quinolin-5-ylethanamine
CID 81227860

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine (CID 81229156) is 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine is NC(CSc1ccccc1Br)c1cccc2ncccc12.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine?
The InChIKey is GGUKKBPVFULMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2S/c18-14-7-1-2-9-17(14)21-11-15(19)12-5-3-8-16-13(12)6-4-10-20-16/h1-10,15H,11,19H2.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine?
2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine has a molecular weight of 359.29 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-quinolin-5-ylethanamine is sourced from PubChem (CID 81229156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).