2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine

C13H12ClFN2S — CID 104738386

IUPAC2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
SMILESNC(CSc1ccc(Cl)cc1)c1ccncc1F
InChIInChI=1S/C13H12ClFN2S/c14-9-1-3-10(4-2-9)18-8-13(16)11-5-6-17-7-12(11)15/h1-7,13H,8,16H2
InChIKeyXCDOADRQFZLYPN-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine

2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine (PubChem CID 104738386) has the molecular formula C13H12ClFN2S and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
PubChem CID104738386
Molecular FormulaC13H12ClFN2S
Molecular Weight282.77 g/mol
Exact Mass282.04
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
SMILESNC(CSc1ccc(Cl)cc1)c1ccncc1F
InChIInChI=1S/C13H12ClFN2S/c14-9-1-3-10(4-2-9)18-8-13(16)11-5-6-17-7-12(11)15/h1-7,13H,8,16H2
InChIKeyXCDOADRQFZLYPN-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
2-(4-chlorophenyl)sulfanyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 66143398
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-4-ylethanamine
CID 66143984
2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271619
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 130679719
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
2-(4-chlorophenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 66144558
2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100
N-[2-(3-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738384

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine (CID 104738386) is 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine is NC(CSc1ccc(Cl)cc1)c1ccncc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine?
The InChIKey is XCDOADRQFZLYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2S/c14-9-1-3-10(4-2-9)18-8-13(16)11-5-6-17-7-12(11)15/h1-7,13H,8,16H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine?
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine has a molecular weight of 282.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine is sourced from PubChem (CID 104738386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).