(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine

C18H16FNS — CID 63533664

IUPAC(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C18H16FNS/c1-12(20)14-7-9-18(17(19)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h2-12H,20H2,1H3/t12-/m1/s1
InChIKeyKWDGJQXYNVLMOL-GFCCVEGCSA-N
MW297.40 g/mol
LogP5.15
Rot. Bonds3

About (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine

(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine (PubChem CID 63533664) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine
PubChem CID63533664
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name(1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine
SMILESC[C@@H](N)c1ccc(Sc2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C18H16FNS/c1-12(20)14-7-9-18(17(19)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h2-12H,20H2,1H3/t12-/m1/s1
InChIKeyKWDGJQXYNVLMOL-GFCCVEGCSA-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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Related Compounds

(1S)-1-(3-bromo-4-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533938
(1R)-1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370337
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 55119530
1-naphthalen-2-ylethanamine
CID 3857145
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1S)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanamine
CID 78938915
(1S)-1-[3-fluoro-4-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 78938882
(1R)-1-[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370213
(1R)-1-[3-fluoro-4-(2-nitrophenyl)sulfanylphenyl]ethanamine
CID 63370294
1-[3-fluoro-4-(3-methylbutan-2-ylsulfanyl)phenyl]ethanamine
CID 107750740
1-(4-fluorophenyl)propan-1-amine;1-naphthalen-2-ylethanamine
CID 160513192
(1R)-1-[3-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63371478

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine (CID 63533664) is (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine is C[C@@H](N)c1ccc(Sc2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine?
The InChIKey is KWDGJQXYNVLMOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16FNS/c1-12(20)14-7-9-18(17(19)11-14)21-16-8-6-13-4-2-3-5-15(13)10-16/h2-12H,20H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine?
(1R)-1-(3-fluoro-4-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 (1R)-1-(3-fluoro-4-naphthalen-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63533664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).