1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine

C16H16Cl2FNS — CID 107308752

IUPAC1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(F)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(9-11-3-2-4-15(17)16(11)18)10-21-14-7-5-12(19)6-8-14/h2-8,13,20H,9-10H2,1H3
InChIKeyGYFDMNLWGYLWQA-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.06
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine

1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 107308752) has the molecular formula C16H16Cl2FNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID107308752
Molecular FormulaC16H16Cl2FNS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(F)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(9-11-3-2-4-15(17)16(11)18)10-21-14-7-5-12(19)6-8-14/h2-8,13,20H,9-10H2,1H3
InChIKeyGYFDMNLWGYLWQA-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 107308754
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-(3-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 102857633
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
1-(2,6-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66065012
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66072440
1-(3-chloro-2-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 102857611
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine (CID 107308752) is 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccc(F)cc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is GYFDMNLWGYLWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNS/c1-20-13(9-11-3-2-4-15(17)16(11)18)10-21-14-7-5-12(19)6-8-14/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine has a molecular weight of 344.28 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 107308752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).