1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine

C16H16ClF2NS — CID 114932219

IUPAC1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1c(F)cccc1F
InChIInChI=1S/C16H16ClF2NS/c1-20-12(9-14-15(18)6-3-7-16(14)19)10-21-13-5-2-4-11(17)8-13/h2-8,12,20H,9-10H2,1H3
InChIKeyIUFZSEFQLCUDLS-UHFFFAOYSA-N
MW327.83 g/mol
LogP4.54
Rot. Bonds6

About 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine

1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (PubChem CID 114932219) has the molecular formula C16H16ClF2NS and a molecular weight of 327.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
PubChem CID114932219
Molecular FormulaC16H16ClF2NS
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1cccc(Cl)c1)Cc1c(F)cccc1F
InChIInChI=1S/C16H16ClF2NS/c1-20-12(9-14-15(18)6-3-7-16(14)19)10-21-13-5-2-4-11(17)8-13/h2-8,12,20H,9-10H2,1H3
InChIKeyIUFZSEFQLCUDLS-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(3-chlorophenyl)sulfanyl-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 66145791
1-(2-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 115983844
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
1-(3-chlorophenyl)sulfanyl-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176064
1-(3-chlorophenyl)sulfanyl-3-(2,5-dimethylphenyl)-N-methylpropan-2-amine
CID 66145796
1-(3-chloro-4-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 103040177
1-(2,6-dichlorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088936
1-(3-chlorophenyl)sulfanyl-N,3-dimethylbutan-2-amine
CID 66147051
1-(3-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 66159819
1-(2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088346
1-(2,5-dichlorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66052512

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (CID 114932219) is 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is CNC(CSc1cccc(Cl)c1)Cc1c(F)cccc1F.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The InChIKey is IUFZSEFQLCUDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2NS/c1-20-12(9-14-15(18)6-3-7-16(14)19)10-21-13-5-2-4-11(17)8-13/h2-8,12,20H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine has a molecular weight of 327.83 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 114932219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).