1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine

C11H14FNS — CID 19982156

IUPAC1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2ccc(F)cc2C1
InChIInChI=1S/C11H14FNS/c1-13-6-8-4-9-5-10(12)2-3-11(9)14-7-8/h2-3,5,8,13H,4,6-7H2,1H3
InChIKeyDTYKKACWTKXZTL-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.31
Rot. Bonds2

About 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine

1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine (PubChem CID 19982156) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine
PubChem CID19982156
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine
SMILESCNCC1CSc2ccc(F)cc2C1
InChIInChI=1S/C11H14FNS/c1-13-6-8-4-9-5-10(12)2-3-11(9)14-7-8/h2-3,5,8,13H,4,6-7H2,1H3
InChIKeyDTYKKACWTKXZTL-UHFFFAOYSA-N
XLogP2.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 105438205
4-fluoro-2-[[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 67797001
3-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117202070
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
bis[4-fluoro-1-[1-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl]piperidin-4-yl]cyclohexa-2,4-dien-1-yl]methanone
CID 67947957
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclobutyl]-N-methylmethanamine
CID 66364150
1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-ol
CID 117200974
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
1-(6-methoxy-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
CID 19982151
(2R)-7-fluoro-2-(methoxymethyl)-2,3-dihydro-1,4-benzoxathiine
CID 58740910
1-(5-fluoro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117200980

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine (CID 19982156) is 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine is CNCC1CSc2ccc(F)cc2C1.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine?
The InChIKey is DTYKKACWTKXZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c1-13-6-8-4-9-5-10(12)2-3-11(9)14-7-8/h2-3,5,8,13H,4,6-7H2,1H3.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine?
1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine has a molecular weight of 211.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 19982156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).