1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride

C12H17ClFNS — CID 19982165

IUPAC1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)CC1CSc2c(F)cccc2C1.Cl
InChIInChI=1S/C12H16FNS.ClH/c1-14(2)7-9-6-10-4-3-5-11(13)12(10)15-8-9;/h3-5,9H,6-8H2,1-2H3;1H
InChIKeyIMBIEBXHQIYHJS-UHFFFAOYSA-N
MW261.79 g/mol
LogP3.07
Rot. Bonds2

About 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride

1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride (PubChem CID 19982165) has the molecular formula C12H17ClFNS and a molecular weight of 261.79 g/mol. Its IUPAC name is 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
PubChem CID19982165
Molecular FormulaC12H17ClFNS
Molecular Weight261.79 g/mol
Exact Mass261.08
IUPAC Name1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)CC1CSc2c(F)cccc2C1.Cl
InChIInChI=1S/C12H16FNS.ClH/c1-14(2)7-9-6-10-4-3-5-11(13)12(10)15-8-9;/h3-5,9H,6-8H2,1-2H3;1H
InChIKeyIMBIEBXHQIYHJS-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride (CID 19982165) is 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride is CN(C)CC1CSc2c(F)cccc2C1.Cl.
What is the InChIKey of 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is IMBIEBXHQIYHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS.ClH/c1-14(2)7-9-6-10-4-3-5-11(13)12(10)15-8-9;/h3-5,9H,6-8H2,1-2H3;1H.
What are the key properties of 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride?
1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 261.79 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-3,4-dihydro-2H-thiochromen-3-yl)-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 19982165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).