8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18FNS — CID 77227013

IUPAC8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Sc3ccccc3)cc(F)c21
InChIInChI=1S/C17H18FNS/c1-19-16-9-5-6-12-10-14(11-15(18)17(12)16)20-13-7-3-2-4-8-13/h2-4,7-8,10-11,16,19H,5-6,9H2,1H3
InChIKeyTYAVPWSQOXYJFT-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.57
Rot. Bonds3

About 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 77227013) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID77227013
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Sc3ccccc3)cc(F)c21
InChIInChI=1S/C17H18FNS/c1-19-16-9-5-6-12-10-14(11-15(18)17(12)16)20-13-7-3-2-4-8-13/h2-4,7-8,10-11,16,19H,5-6,9H2,1H3
InChIKeyTYAVPWSQOXYJFT-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 77227013) is 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(Sc3ccccc3)cc(F)c21.
What is the InChIKey of 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is TYAVPWSQOXYJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-19-16-9-5-6-12-10-14(11-15(18)17(12)16)20-13-7-3-2-4-8-13/h2-4,7-8,10-11,16,19H,5-6,9H2,1H3.
What are the key properties of 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 77227013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).