2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine

C16H17ClFNOS — CID 82792566

IUPAC2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)c1cccc(OC)c1F
InChIInChI=1S/C16H17ClFNOS/c1-19-13(10-21-15-9-4-3-7-12(15)17)11-6-5-8-14(20-2)16(11)18/h3-9,13,19H,10H2,1-2H3
InChIKeyYAMRDURNDLIMLL-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.54
Rot. Bonds6

About 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine

2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 82792566) has the molecular formula C16H17ClFNOS and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID82792566
Molecular FormulaC16H17ClFNOS
Molecular Weight325.84 g/mol
Exact Mass325.07
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(CSc1ccccc1Cl)c1cccc(OC)c1F
InChIInChI=1S/C16H17ClFNOS/c1-19-13(10-21-15-9-4-3-7-12(15)17)11-6-5-8-14(20-2)16(11)18/h3-9,13,19H,10H2,1-2H3
InChIKeyYAMRDURNDLIMLL-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 66140362
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanyl-N-methylethanamine
CID 79700594
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-N-methylethanamine
CID 64620494
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66140551
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methoxyphenyl)-N-methylethanamine
CID 64630473
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
1-(2,3-dichlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105035564
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105174719
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64650228
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 82792566) is 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(CSc1ccccc1Cl)c1cccc(OC)c1F.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is YAMRDURNDLIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNOS/c1-19-13(10-21-15-9-4-3-7-12(15)17)11-6-5-8-14(20-2)16(11)18/h3-9,13,19H,10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine?
2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 325.84 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(2-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 82792566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).