2-(3-fluoro-4-methylsulfanylphenyl)ethanamine

C9H12FNS — CID 63818354

IUPAC2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN)cc1F
InChIInChI=1S/C9H12FNS/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyDWSCRIDEDHELMJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.05
Rot. Bonds3

About 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine

2-(3-fluoro-4-methylsulfanylphenyl)ethanamine (PubChem CID 63818354) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
PubChem CID63818354
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN)cc1F
InChIInChI=1S/C9H12FNS/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChIKeyDWSCRIDEDHELMJ-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylsulfanylphenyl)ethanamine
CID 81159751
3-(3-fluoro-4-methylsulfanylphenyl)propanenitrile
CID 84773588
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
2-[3-fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 63818475
3-(4-fluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117288827
2-[4-(2,4-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 55240458
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene
CID 67531286
2-(4-bromo-3-fluorophenyl)ethanamine
CID 66915310
2-[3-fluoro-4-(1,3-thiazol-2-ylsulfanyl)phenyl]ethanamine
CID 63818702
5-(4-aminobutyl)-2-methylsulfanylphenol
CID 117302194
2-[4-(2,5-difluorophenyl)sulfanyl-3-methylphenyl]ethanamine
CID 63818816

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine (CID 63818354) is 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine is CSc1ccc(CCN)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
The InChIKey is DWSCRIDEDHELMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine?
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 63818354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).