(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine

C14H13ClFNS — CID 78938952

IUPAC(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1Sc1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNS/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9H,17H2,1H3/t9-/m0/s1
InChIKeyAGRNVKBSJSGDGM-VIFPVBQESA-N
MW281.78 g/mol
LogP4.65
Rot. Bonds3

About (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine

(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine (PubChem CID 78938952) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
PubChem CID78938952
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine
SMILESC[C@H](N)c1c(F)cccc1Sc1cccc(Cl)c1
InChIInChI=1S/C14H13ClFNS/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9H,17H2,1H3/t9-/m0/s1
InChIKeyAGRNVKBSJSGDGM-VIFPVBQESA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanol
CID 55239481
(1S)-1-[2-fluoro-6-(3-methylphenyl)sulfanylphenyl]ethanamine
CID 78938825
(1S)-1-[4-(3-chlorophenyl)sulfanylphenyl]ethanamine
CID 63371446
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
1-[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63817979
1-(3-chlorophenyl)sulfanyl-1-(2-fluorophenyl)propan-2-amine
CID 55101417
1-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43345496
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1-(3-chlorophenyl)sulfanyl-3-fluoro-2-nitrobenzene
CID 62689653
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
5-chloro-2-(3-chlorophenyl)sulfanylaniline
CID 3026812
1-[2-(2,4-dimethylphenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 43103539

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine (CID 78938952) is (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine is C[C@H](N)c1c(F)cccc1Sc1cccc(Cl)c1.
What is the InChIKey of (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
The InChIKey is AGRNVKBSJSGDGM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClFNS/c1-9(17)14-12(16)6-3-7-13(14)18-11-5-2-4-10(15)8-11/h2-9H,17H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine?
(1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine has a molecular weight of 281.78 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-chlorophenyl)sulfanyl-6-fluorophenyl]ethanamine is sourced from PubChem (CID 78938952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).