2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine

C17H15FN2S — CID 66054039

IUPAC2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
SMILESNC(CSc1ccccc1F)c1cnc2ccccc2c1
InChIInChI=1S/C17H15FN2S/c18-14-6-2-4-8-17(14)21-11-15(19)13-9-12-5-1-3-7-16(12)20-10-13/h1-10,15H,11,19H2
InChIKeyPRDWGMUIVSNYTO-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine

2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine (PubChem CID 66054039) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
PubChem CID66054039
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine
SMILESNC(CSc1ccccc1F)c1cnc2ccccc2c1
InChIInChI=1S/C17H15FN2S/c18-14-6-2-4-8-17(14)21-11-15(19)13-9-12-5-1-3-7-16(12)20-10-13/h1-10,15H,11,19H2
InChIKeyPRDWGMUIVSNYTO-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine (CID 66054039) is 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine is NC(CSc1ccccc1F)c1cnc2ccccc2c1.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine?
The InChIKey is PRDWGMUIVSNYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-14-6-2-4-8-17(14)21-11-15(19)13-9-12-5-1-3-7-16(12)20-10-13/h1-10,15H,11,19H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine?
2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine has a molecular weight of 298.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1-quinolin-3-ylethanamine is sourced from PubChem (CID 66054039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).