3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H15F2NOS — CID 64615385

IUPAC3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1Sc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NOS/c1-19-16-11-4-2-3-5-13(11)20-9-15(16)21-14-7-6-10(17)8-12(14)18/h2-8,15-16,19H,9H2,1H3
InChIKeyNZAJQJWWMOZREU-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.78
Rot. Bonds3

About 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine

3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 64615385) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID64615385
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC Name3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1c2ccccc2OCC1Sc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NOS/c1-19-16-11-4-2-3-5-13(11)20-9-15(16)21-14-7-6-10(17)8-12(14)18/h2-8,15-16,19H,9H2,1H3
InChIKeyNZAJQJWWMOZREU-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 64615385) is 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1c2ccccc2OCC1Sc1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NZAJQJWWMOZREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c1-19-16-11-4-2-3-5-13(11)20-9-15(16)21-14-7-6-10(17)8-12(14)18/h2-8,15-16,19H,9H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine?
3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 307.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfanyl-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 64615385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).