6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H18FNS — CID 77227009

IUPAC6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Sc3cccc(F)c3)ccc21
InChIInChI=1S/C17H18FNS/c1-19-17-7-2-4-12-10-15(8-9-16(12)17)20-14-6-3-5-13(18)11-14/h3,5-6,8-11,17,19H,2,4,7H2,1H3
InChIKeyQSZZWZIKTVNFKE-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.57
Rot. Bonds3

About 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 77227009) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID77227009
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2cc(Sc3cccc(F)c3)ccc21
InChIInChI=1S/C17H18FNS/c1-19-17-7-2-4-12-10-15(8-9-16(12)17)20-14-6-3-5-13(18)11-14/h3,5-6,8-11,17,19H,2,4,7H2,1H3
InChIKeyQSZZWZIKTVNFKE-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 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 77227009) is 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2cc(Sc3cccc(F)c3)ccc21.
What is the InChIKey of 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QSZZWZIKTVNFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c1-19-17-7-2-4-12-10-15(8-9-16(12)17)20-14-6-3-5-13(18)11-14/h3,5-6,8-11,17,19H,2,4,7H2,1H3.
What are the key properties of 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-(3-fluorophenyl)sulfanyl-N-methyl-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 6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 77227009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).