1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine

C18H16FNS — CID 43519202

IUPAC1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine
SMILESCC(N)c1c(F)cccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C18H16FNS/c1-12(20)18-16(19)7-4-8-17(18)21-15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,20H2,1H3
InChIKeyZJWCLTBJASZONQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.15
Rot. Bonds3

About 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine

1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine (PubChem CID 43519202) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine
PubChem CID43519202
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine
SMILESCC(N)c1c(F)cccc1Sc1ccc2ccccc2c1
InChIInChI=1S/C18H16FNS/c1-12(20)18-16(19)7-4-8-17(18)21-15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,20H2,1H3
InChIKeyZJWCLTBJASZONQ-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine (CID 43519202) is 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine is CC(N)c1c(F)cccc1Sc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine?
The InChIKey is ZJWCLTBJASZONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-12(20)18-16(19)7-4-8-17(18)21-15-10-9-13-5-2-3-6-14(13)11-15/h2-12H,20H2,1H3.
What are the key properties of 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine?
1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine has a molecular weight of 297.40 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-naphthalen-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 43519202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).