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

C16H15F2NS — CID 64613268

IUPAC2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NS/c17-13-7-6-11(9-14(13)18)20-15-8-5-10-3-1-2-4-12(10)16(15)19/h1-4,6-7,9,15-16H,5,8,19H2
InChIKeyAODMAZUDIJIBLT-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.07
Rot. Bonds2

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

2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64613268) has the molecular formula C16H15F2NS and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64613268
Molecular FormulaC16H15F2NS
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NS/c17-13-7-6-11(9-14(13)18)20-15-8-5-10-3-1-2-4-12(10)16(15)19/h1-4,6-7,9,15-16H,5,8,19H2
InChIKeyAODMAZUDIJIBLT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64613268) is 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AODMAZUDIJIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NS/c17-13-7-6-11(9-14(13)18)20-15-8-5-10-3-1-2-4-12(10)16(15)19/h1-4,6-7,9,15-16H,5,8,19H2.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(3,4-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-(3,4-difluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64613268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).