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

C17H18FNS — CID 118598367

IUPAC[6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNCC1CCCc2cc(Sc3ccccc3F)ccc21
InChIInChI=1S/C17H18FNS/c18-16-6-1-2-7-17(16)20-14-8-9-15-12(10-14)4-3-5-13(15)11-19/h1-2,6-10,13H,3-5,11,19H2
InChIKeyXFOWSXVPKPMPGQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.36
Rot. Bonds3

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

[6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (PubChem CID 118598367) has the molecular formula C17H18FNS and a molecular weight of 287.40 g/mol. Its IUPAC name is [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
PubChem CID118598367
Molecular FormulaC17H18FNS
Molecular Weight287.40 g/mol
Exact Mass287.11
IUPAC Name[6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
SMILESNCC1CCCc2cc(Sc3ccccc3F)ccc21
InChIInChI=1S/C17H18FNS/c18-16-6-1-2-7-17(16)20-14-8-9-15-12(10-14)4-3-5-13(15)11-19/h1-2,6-10,13H,3-5,11,19H2
InChIKeyXFOWSXVPKPMPGQ-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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Related Compounds

CID 11515192
CID 11515192
CID 11639865
CID 11639865
CID 46889890
CID 46889890
CID 46889893
CID 46889893
CID 46890264
CID 46890264
CID 46890266
CID 46890266
CID 46889894
CID 46889894
CID 46890263
CID 46890263
CID 46890267
CID 46890267
CID 46889915
CID 46889915
CID 46889916
CID 46889916
CID 45262683
CID 45262683

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The IUPAC name of [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine (CID 118598367) is [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine.
What is the SMILES notation for [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The canonical SMILES for [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is NCC1CCCc2cc(Sc3ccccc3F)ccc21.
What is the InChIKey of [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
The InChIKey is XFOWSXVPKPMPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNS/c18-16-6-1-2-7-17(16)20-14-8-9-15-12(10-14)4-3-5-13(15)11-19/h1-2,6-10,13H,3-5,11,19H2.
What are the key properties of [6-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine?
[6-(2-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-(2-fluorophenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine is sourced from PubChem (CID 118598367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).