2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine

C9H11F2NS — CID 63818519

IUPAC2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
SMILESCSc1c(F)cc(CCN)cc1F
InChIInChI=1S/C9H11F2NS/c1-13-9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKeyHRNLEBVHNPZYFJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.19
Rot. Bonds3

About 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine

2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine (PubChem CID 63818519) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
PubChem CID63818519
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
SMILESCSc1c(F)cc(CCN)cc1F
InChIInChI=1S/C9H11F2NS/c1-13-9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKeyHRNLEBVHNPZYFJ-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
CID 63835465
2-[3,5-difluoro-4-(2-methylpropylsulfanyl)phenyl]ethanamine
CID 63818628
2-[3,5-difluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 65041442
2-(3,5-difluoro-4-methylsulfonylphenyl)ethanamine
CID 117341937
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
4-(3,5-difluoro-4-methylsulfanylphenyl)butanoic acid
CID 117367788
2-[3,5-difluoro-4-[(2-methylphenyl)methylsulfanyl]phenyl]ethanamine
CID 63819591
1-(3,5-difluoro-4-methylsulfanylphenyl)propan-2-one
CID 117308087
N-[(3,5-difluoro-4-methylsulfanylphenyl)methyl]ethanamine
CID 63812832
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
CID 117445656

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine (CID 63818519) is 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine is CSc1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine?
The InChIKey is HRNLEBVHNPZYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c1-13-9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine?
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine has a molecular weight of 203.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63818519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).