[6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

C17H18FNS — CID 118598184

IUPAC[6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNCC1CCCc2cc(Sc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H18FNS/c18-14-4-6-15(7-5-14)20-16-8-9-17-12(10-16)2-1-3-13(17)11-19/h4-10,13H,1-3,11,19H2
InChIKeyIRHWPUBCPBJCLV-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.36
Rot. Bonds3

About [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine

[6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 118598184) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID118598184
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name[6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNCC1CCCc2cc(Sc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H18FNS/c18-14-4-6-15(7-5-14)20-16-8-9-17-12(10-16)2-1-3-13(17)11-19/h4-10,13H,1-3,11,19H2
InChIKeyIRHWPUBCPBJCLV-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 118598184) is [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NCC1CCCc2cc(Sc3ccc(F)cc3)ccc21.
What is the InChIKey of [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is IRHWPUBCPBJCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-14-4-6-15(7-5-14)20-16-8-9-17-12(10-16)2-1-3-13(17)11-19/h4-10,13H,1-3,11,19H2.
What are the key properties of [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[6-(4-fluorophenyl)sulfanyl-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 [6-(4-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 118598184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).