2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine

C16H17F2NOS — CID 64649061

IUPAC2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CSc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2NOS/c1-2-20-13-6-3-11(4-7-13)15(19)10-21-16-9-12(17)5-8-14(16)18/h3-9,15H,2,10,19H2,1H3
InChIKeyBELTXLHVJZSEDJ-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.16
Rot. Bonds6

About 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine

2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine (PubChem CID 64649061) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine
PubChem CID64649061
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(N)CSc2cc(F)ccc2F)cc1
InChIInChI=1S/C16H17F2NOS/c1-2-20-13-6-3-11(4-7-13)15(19)10-21-16-9-12(17)5-8-14(16)18/h3-9,15H,2,10,19H2,1H3
InChIKeyBELTXLHVJZSEDJ-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64613499
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
(1S)-1-(4-ethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171220228
(1R)-1-(4-ethoxyphenyl)pentane-1,5-diamine
CID 171200692
(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574
1-(4-ethoxyphenyl)-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 64626203
2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 64561584
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,5-difluorophenyl)sulfanylacetate
CID 9000828
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79671253

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine (CID 64649061) is 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(N)CSc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine?
The InChIKey is BELTXLHVJZSEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NOS/c1-2-20-13-6-3-11(4-7-13)15(19)10-21-16-9-12(17)5-8-14(16)18/h3-9,15H,2,10,19H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine?
2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine has a molecular weight of 309.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 64649061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).