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

C16H16FNS — CID 64620468

IUPAC2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1ccccc1F
InChIInChI=1S/C16H16FNS/c17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)18/h1-8,15-16H,9-10,18H2
InChIKeyUBBCVKLHWQKKAD-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.93
Rot. Bonds2

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

2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64620468) has the molecular formula C16H16FNS and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64620468
Molecular FormulaC16H16FNS
Molecular Weight273.38 g/mol
Exact Mass273.10
IUPAC Name2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1Sc1ccccc1F
InChIInChI=1S/C16H16FNS/c17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)18/h1-8,15-16H,9-10,18H2
InChIKeyUBBCVKLHWQKKAD-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluorophenyl)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-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64620468) is 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UBBCVKLHWQKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNS/c17-13-7-3-4-8-14(13)19-15-10-9-11-5-1-2-6-12(11)16(15)18/h1-8,15-16H,9-10,18H2.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64620468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).