3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol

C16H22FNOS — CID 103785901

IUPAC3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCSc3c(F)cccc32)C1
InChIInChI=1S/C16H22FNOS/c17-14-6-2-5-13-15(7-8-20-16(13)14)18-10-11-3-1-4-12(19)9-11/h2,5-6,11-12,15,18-19H,1,3-4,7-10H2
InChIKeyJETZHQSKIQHOIZ-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.50
Rot. Bonds3

About 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 103785901) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID103785901
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCSc3c(F)cccc32)C1
InChIInChI=1S/C16H22FNOS/c17-14-6-2-5-13-15(7-8-20-16(13)14)18-10-11-3-1-4-12(19)9-11/h2,5-6,11-12,15,18-19H,1,3-4,7-10H2
InChIKeyJETZHQSKIQHOIZ-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
1-[(3-hydroxycyclohexyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103874821
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014064
[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexyl]methanol
CID 115892905
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232596
2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114750757
tert-butyl 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 113424552

Frequently Asked Questions

What is the IUPAC name of 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol (CID 103785901) is 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol is OC1CCCC(CNC2CCSc3c(F)cccc32)C1.
What is the InChIKey of 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JETZHQSKIQHOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-14-6-2-5-13-15(7-8-20-16(13)14)18-10-11-3-1-4-12(19)9-11/h2,5-6,11-12,15,18-19H,1,3-4,7-10H2.
What are the key properties of 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 295.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103785901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).