1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

C13H13F2NOS — CID 107524242

IUPAC1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNC(CSCc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NOS/c14-9-3-4-11(12(15)6-9)13(16)8-18-7-10-2-1-5-17-10/h1-6,13H,7-8,16H2
InChIKeyXZUFEPHUKDYXQJ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.49
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine

1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (PubChem CID 107524242) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
PubChem CID107524242
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
SMILESNC(CSCc1ccco1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NOS/c14-9-3-4-11(12(15)6-9)13(16)8-18-7-10-2-1-5-17-10/h1-6,13H,7-8,16H2
InChIKeyXZUFEPHUKDYXQJ-UHFFFAOYSA-N
XLogP3.49
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 107524245
1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
1-(4-chloro-2-fluorophenyl)-2-(furan-2-yl)ethanamine
CID 83175328
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
2-(furan-2-ylmethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64609270
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738
2-[2-amino-2-(2,5-difluorophenyl)ethyl]sulfanylethanol
CID 107524370
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
(1S)-1-(2,4-difluorophenyl)-2,2-difluoroethanamine
CID 28973274

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine (CID 107524242) is 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is NC(CSCc1ccco1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
The InChIKey is XZUFEPHUKDYXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c14-9-3-4-11(12(15)6-9)13(16)8-18-7-10-2-1-5-17-10/h1-6,13H,7-8,16H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine?
1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine has a molecular weight of 269.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine is sourced from PubChem (CID 107524242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).