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

C16H17FINS — CID 66072440

IUPAC1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(F)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C16H17FINS/c1-19-15(10-12-2-6-14(18)7-3-12)11-20-16-8-4-13(17)5-9-16/h2-9,15,19H,10-11H2,1H3
InChIKeyPEVHADBLRHTEBR-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.35
Rot. Bonds6

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

1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine (PubChem CID 66072440) has the molecular formula C16H17FINS and a molecular weight of 401.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
PubChem CID66072440
Molecular FormulaC16H17FINS
Molecular Weight401.29 g/mol
Exact Mass401.01
IUPAC Name1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
SMILESCNC(CSc1ccc(F)cc1)Cc1ccc(I)cc1
InChIInChI=1S/C16H17FINS/c1-19-15(10-12-2-6-14(18)7-3-12)11-20-16-8-4-13(17)5-9-16/h2-9,15,19H,10-11H2,1H3
InChIKeyPEVHADBLRHTEBR-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 82910565
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107884855
1-(4-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66051929
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
1-(4-chlorophenyl)sulfanyl-3-(3,5-difluorophenyl)-N-methylpropan-2-amine
CID 105406467
1-(4-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)-N-methylpropan-2-amine
CID 82909676
1-(2-chlorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 66139977
1-(3-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 65476281
1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107308752
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine (CID 66072440) is 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine is CNC(CSc1ccc(F)cc1)Cc1ccc(I)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
The InChIKey is PEVHADBLRHTEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FINS/c1-19-15(10-12-2-6-14(18)7-3-12)11-20-16-8-4-13(17)5-9-16/h2-9,15,19H,10-11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine?
1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine has a molecular weight of 401.29 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfanyl-3-(4-iodophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 66072440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).