2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine

C17H15FN2S — CID 81229127

IUPAC2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
SMILESNC(CSc1ccc(F)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H15FN2S/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16H,11,19H2
InChIKeyOVQODVVEXAPNDM-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine

2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine (PubChem CID 81229127) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
PubChem CID81229127
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
SMILESNC(CSc1ccc(F)cc1)c1cccc2cccnc12
InChIInChI=1S/C17H15FN2S/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16H,11,19H2
InChIKeyOVQODVVEXAPNDM-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-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229147
5-(4-fluorophenyl)sulfanyl-4-quinolin-8-ylpentanamide
CID 91171647
2-(4-fluorophenyl)sulfanyl-1-quinolin-6-ylethanamine
CID 81229129
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
2-(3,5-difluorophenyl)-1-quinolin-8-ylethanamine
CID 81227602
[(4-fluorophenyl)-quinolin-8-ylmethyl]hydrazine
CID 105192623
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
1-quinolin-8-ylbutan-1-amine
CID 79016206
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
3-[1-amino-2-(4-methylphenyl)sulfanylethyl]pyridin-2-amine
CID 66064996
2-(4-bromophenyl)sulfanyl-1-naphthalen-1-ylethanamine
CID 64613898
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine (CID 81229127) is 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine is NC(CSc1ccc(F)cc1)c1cccc2cccnc12.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
The InChIKey is OVQODVVEXAPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-13-6-8-14(9-7-13)21-11-16(19)15-5-1-3-12-4-2-10-20-17(12)15/h1-10,16H,11,19H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine?
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-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-8-ylethanamine is sourced from PubChem (CID 81229127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).