1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine

C16H16Cl2FNS — CID 66052512

IUPAC1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1F)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(9-11-8-12(17)6-7-14(11)18)10-21-16-5-3-2-4-15(16)19/h2-8,13,20H,9-10H2,1H3
InChIKeyALZXTZJAMSESRF-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.06
Rot. Bonds6

About 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine

1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine (PubChem CID 66052512) has the molecular formula C16H16Cl2FNS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
PubChem CID66052512
Molecular FormulaC16H16Cl2FNS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
SMILESCNC(CSc1ccccc1F)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2FNS/c1-20-13(9-11-8-12(17)6-7-14(11)18)10-21-16-5-3-2-4-15(16)19/h2-8,13,20H,9-10H2,1H3
InChIKeyALZXTZJAMSESRF-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-(5-chloro-2-fluorophenyl)-3-(2-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 103048819
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66052488
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(2-fluorophenyl)sulfanyl-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 66051734
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 66145628
1-tert-butylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321783
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-butan-2-ylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321928

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine (CID 66052512) is 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine is CNC(CSc1ccccc1F)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
The InChIKey is ALZXTZJAMSESRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNS/c1-20-13(9-11-8-12(17)6-7-14(11)18)10-21-16-5-3-2-4-15(16)19/h2-8,13,20H,9-10H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine?
1-(2,5-dichlorophenyl)-3-(2-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-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 66052512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).