3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine

C11H14FNS — CID 105356574

IUPAC3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCC1SCc2ccc(F)cc2C1N
InChIInChI=1S/C11H14FNS/c1-2-10-11(13)9-5-8(12)4-3-7(9)6-14-10/h3-5,10-11H,2,6,13H2,1H3
InChIKeyZPWJHLOLGNFODS-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.85
Rot. Bonds1

About 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine

3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 105356574) has the molecular formula C11H14FNS and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID105356574
Molecular FormulaC11H14FNS
Molecular Weight211.30 g/mol
Exact Mass211.08
IUPAC Name3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCC1SCc2ccc(F)cc2C1N
InChIInChI=1S/C11H14FNS/c1-2-10-11(13)9-5-8(12)4-3-7(9)6-14-10/h3-5,10-11H,2,6,13H2,1H3
InChIKeyZPWJHLOLGNFODS-UHFFFAOYSA-N
XLogP2.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356578
8-bromo-3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356570
(5R)-7-fluoro-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889661
6-bromo-3-ethyl-8-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356577
6-fluoro-N,3-dimethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887464
(3S,4R)-6-fluoro-3-methyl-3,4-dihydro-1H-isochromen-4-amine
CID 134223128
6-ethoxy-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356748
(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
CID 162342276
(4R)-6-fluoro-3,4-dihydro-1H-isothiochromen-4-ol
CID 82886779
4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 165459054
5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine
CID 82391341
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine (CID 105356574) is 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine is CCC1SCc2ccc(F)cc2C1N.
What is the InChIKey of 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is ZPWJHLOLGNFODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c1-2-10-11(13)9-5-8(12)4-3-7(9)6-14-10/h3-5,10-11H,2,6,13H2,1H3.
What are the key properties of 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 211.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 105356574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).