6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

C16H24FNS — CID 105356875

IUPAC6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1c2cc(F)cc(C)c2CSC1C(C)C
InChIInChI=1S/C16H24FNS/c1-5-6-18-15-13-8-12(17)7-11(4)14(13)9-19-16(15)10(2)3/h7-8,10,15-16,18H,5-6,9H2,1-4H3
InChIKeyLHYOQUDNPUKBIW-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.45
Rot. Bonds4

About 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine

6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 105356875) has the molecular formula C16H24FNS and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID105356875
Molecular FormulaC16H24FNS
Molecular Weight281.44 g/mol
Exact Mass281.16
IUPAC Name6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine
SMILESCCCNC1c2cc(F)cc(C)c2CSC1C(C)C
InChIInChI=1S/C16H24FNS/c1-5-6-18-15-13-8-12(17)7-11(4)14(13)9-19-16(15)10(2)3/h7-8,10,15-16,18H,5-6,9H2,1-4H3
InChIKeyLHYOQUDNPUKBIW-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine (CID 105356875) is 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is CCCNC1c2cc(F)cc(C)c2CSC1C(C)C.
What is the InChIKey of 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is LHYOQUDNPUKBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNS/c1-5-6-18-15-13-8-12(17)7-11(4)14(13)9-19-16(15)10(2)3/h7-8,10,15-16,18H,5-6,9H2,1-4H3.
What are the key properties of 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine?
6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 281.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-3-propan-2-yl-N-propyl-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 105356875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).