2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine

C17H15FN2S — CID 81229129

IUPAC2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
SMILESNC(CSc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C17H15FN2S/c18-14-4-6-15(7-5-14)21-11-16(19)12-3-8-17-13(10-12)2-1-9-20-17/h1-10,16H,11,19H2
InChIKeyNPGLBKUYQZQQBW-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine

2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine (PubChem CID 81229129) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
PubChem CID81229129
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
SMILESNC(CSc1ccc(F)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C17H15FN2S/c18-14-4-6-15(7-5-14)21-11-16(19)12-3-8-17-13(10-12)2-1-9-20-17/h1-10,16H,11,19H2
InChIKeyNPGLBKUYQZQQBW-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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Related Compounds

2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
2-propylsulfanyl-1-quinolin-6-ylethanamine
CID 81231903
[(4-fluorophenyl)-quinolin-6-ylmethyl]hydrazine
CID 105192827
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555
1-quinolin-6-ylbutan-1-amine
CID 63095616
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
1-quinolin-6-yldecan-1-amine
CID 63418413
2-(3-chloro-2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 82789990

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine (CID 81229129) is 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine is NC(CSc1ccc(F)cc1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine?
The InChIKey is NPGLBKUYQZQQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-14-4-6-15(7-5-14)21-11-16(19)12-3-8-17-13(10-12)2-1-9-20-17/h1-10,16H,11,19H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine?
2-(4-fluorophenyl)sulfanyl-1-quinolin-6-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-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine is sourced from PubChem (CID 81229129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).