2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine

C14H13ClFNS — CID 63819614

IUPAC2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
SMILESNCCc1c(Cl)cccc1Sc1ccccc1F
InChIInChI=1S/C14H13ClFNS/c15-11-4-3-7-13(10(11)8-9-17)18-14-6-2-1-5-12(14)16/h1-7H,8-9,17H2
InChIKeyQCZBKXIDSHWFIW-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.13
Rot. Bonds4

About 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine

2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine (PubChem CID 63819614) has the molecular formula C14H13ClFNS and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
PubChem CID63819614
Molecular FormulaC14H13ClFNS
Molecular Weight281.78 g/mol
Exact Mass281.04
IUPAC Name2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
SMILESNCCc1c(Cl)cccc1Sc1ccccc1F
InChIInChI=1S/C14H13ClFNS/c15-11-4-3-7-13(10(11)8-9-17)18-14-6-2-1-5-12(14)16/h1-7H,8-9,17H2
InChIKeyQCZBKXIDSHWFIW-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 79517045
2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836065
[2-chloro-6-(2,5-difluorophenyl)sulfanylphenyl]methanamine
CID 62495474
2-[2-(4-tert-butylphenyl)sulfanyl-6-chlorophenyl]ethanamine
CID 63819658
2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
CID 63835994
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63820479
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile
CID 60677671
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 2780046
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine (CID 63819614) is 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine is NCCc1c(Cl)cccc1Sc1ccccc1F.
What is the InChIKey of 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine?
The InChIKey is QCZBKXIDSHWFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNS/c15-11-4-3-7-13(10(11)8-9-17)18-14-6-2-1-5-12(14)16/h1-7H,8-9,17H2.
What are the key properties of 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine?
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine has a molecular weight of 281.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63819614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).