2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine

C17H19F2NS — CID 64613499

IUPAC2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NS/c1-11(2)12-3-5-13(6-4-12)16(20)10-21-17-8-7-14(18)9-15(17)19/h3-9,11,16H,10,20H2,1-2H3
InChIKeyGSDVFFBVKOLDNJ-UHFFFAOYSA-N
MW307.41 g/mol
LogP4.88
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine

2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 64613499) has the molecular formula C17H19F2NS and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID64613499
Molecular FormulaC17H19F2NS
Molecular Weight307.41 g/mol
Exact Mass307.12
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CSc2ccc(F)cc2F)cc1
InChIInChI=1S/C17H19F2NS/c1-11(2)12-3-5-13(6-4-12)16(20)10-21-17-8-7-14(18)9-15(17)19/h3-9,11,16H,10,20H2,1-2H3
InChIKeyGSDVFFBVKOLDNJ-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 107524316
1-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylethanol
CID 62264392
2-(2,5-difluorophenyl)sulfanyl-1-(4-ethoxyphenyl)ethanamine
CID 64649061
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
4-[1-(2,4-difluorophenyl)sulfanylethyl]aniline
CID 61262417
2-phenylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64621935
5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1R)-1-[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 55184274
(1R)-2-fluoro-1-(4-propan-2-ylphenyl)ethanamine
CID 124704459
1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine (CID 64613499) is 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)CSc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is GSDVFFBVKOLDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NS/c1-11(2)12-3-5-13(6-4-12)16(20)10-21-17-8-7-14(18)9-15(17)19/h3-9,11,16H,10,20H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine?
2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 307.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 64613499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).