2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H15F2NS — CID 64612659

IUPAC2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NS/c17-11-6-8-14(13(18)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)19/h1-4,6,8-9,15-16H,5,7,19H2
InChIKeyYQNLJGYYTOFWIO-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.07
Rot. Bonds2

About 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64612659) has the molecular formula C16H15F2NS and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64612659
Molecular FormulaC16H15F2NS
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NS/c17-11-6-8-14(13(18)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)19/h1-4,6,8-9,15-16H,5,7,19H2
InChIKeyYQNLJGYYTOFWIO-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64612659) is 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YQNLJGYYTOFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NS/c17-11-6-8-14(13(18)9-11)20-15-7-5-10-3-1-2-4-12(10)16(15)19/h1-4,6,8-9,15-16H,5,7,19H2.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 291.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64612659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).