2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine

C10H13F2NS — CID 63835465

IUPAC2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
SMILESCCSc1c(F)cc(CCN)cc1F
InChIInChI=1S/C10H13F2NS/c1-2-14-10-8(11)5-7(3-4-13)6-9(10)12/h5-6H,2-4,13H2,1H3
InChIKeyCAHHVFVINXUMCJ-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine

2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine (PubChem CID 63835465) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
PubChem CID63835465
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
SMILESCCSc1c(F)cc(CCN)cc1F
InChIInChI=1S/C10H13F2NS/c1-2-14-10-8(11)5-7(3-4-13)6-9(10)12/h5-6H,2-4,13H2,1H3
InChIKeyCAHHVFVINXUMCJ-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
2-[3,5-difluoro-4-(2-methylpropylsulfanyl)phenyl]ethanamine
CID 63818628
1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
CID 63805016
2-[3,5-difluoro-4-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 63819591
N-[(4-ethylsulfanyl-3,5-difluorophenyl)methyl]propan-2-amine
CID 63807110
2-[3,5-difluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 65041442
2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341937
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
[3,5-difluoro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
CID 63808183
2-(3-bromo-4-ethylsulfanylphenyl)ethanamine
CID 105424591
(3,5-difluoro-4-propylsulfanylphenyl)methanol
CID 63814984

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine (CID 63835465) is 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine is CCSc1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine?
The InChIKey is CAHHVFVINXUMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-2-14-10-8(11)5-7(3-4-13)6-9(10)12/h5-6H,2-4,13H2,1H3.
What are the key properties of 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine?
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine has a molecular weight of 217.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 63835465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).