[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C17H18FNS — CID 59378893

IUPAC[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21
InChIInChI=1S/C17H18FNS/c18-16-10-15(20-14-7-2-1-3-8-14)9-12-5-4-6-13(11-19)17(12)16/h1-3,7-10,13H,4-6,11,19H2/t13-/m0/s1
InChIKeyRCYMRZBVSOWEHP-ZDUSSCGKSA-N
MW287.40 g/mol
LogP4.36
Rot. Bonds3

About [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 59378893) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID59378893
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNC[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21
InChIInChI=1S/C17H18FNS/c18-16-10-15(20-14-7-2-1-3-8-14)9-12-5-4-6-13(11-19)17(12)16/h1-3,7-10,13H,4-6,11,19H2/t13-/m0/s1
InChIKeyRCYMRZBVSOWEHP-ZDUSSCGKSA-N
XLogP4.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine 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 [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 59378893) is [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NC[C@@H]1CCCc2cc(Sc3ccccc3)cc(F)c21.
What is the InChIKey of [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is RCYMRZBVSOWEHP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FNS/c18-16-10-15(20-14-7-2-1-3-8-14)9-12-5-4-6-13(11-19)17(12)16/h1-3,7-10,13H,4-6,11,19H2/t13-/m0/s1.
What are the key properties of [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine has a molecular weight of 287.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-8-fluoro-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 59378893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).