2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine

C11H16FNS — CID 107128759

IUPAC2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCSCC(N)c1ccc(C)c(F)c1
InChIInChI=1S/C11H16FNS/c1-3-14-7-11(13)9-5-4-8(2)10(12)6-9/h4-6,11H,3,7,13H2,1-2H3
InChIKeyJZWQFJNCMLWONN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.89
Rot. Bonds4

About 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine

2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 107128759) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID107128759
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCCSCC(N)c1ccc(C)c(F)c1
InChIInChI=1S/C11H16FNS/c1-3-14-7-11(13)9-5-4-8(2)10(12)6-9/h4-6,11H,3,7,13H2,1-2H3
InChIKeyJZWQFJNCMLWONN-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 171223924
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
3-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)propan-1-ol
CID 107128201
ethyl 3-amino-3-(3-fluoro-4-methylphenyl)propanoate
CID 63644834
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(3R)-3-amino-3-(3-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171260420
1-(3-fluoro-4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002277
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
1-(3-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 104804543

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine (CID 107128759) is 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine is CCSCC(N)c1ccc(C)c(F)c1.
What is the InChIKey of 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is JZWQFJNCMLWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-3-14-7-11(13)9-5-4-8(2)10(12)6-9/h4-6,11H,3,7,13H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine?
2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 107128759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).