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

C12H16FNOS — CID 43776271

IUPAC1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
SMILESCC(O)CNC1CCSc2c(F)cccc21
InChIInChI=1S/C12H16FNOS/c1-8(15)7-14-11-5-6-16-12-9(11)3-2-4-10(12)13/h2-4,8,11,14-15H,5-7H2,1H3
InChIKeyBUPWAEHIPLAERN-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.33
Rot. Bonds3

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

1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol (PubChem CID 43776271) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
PubChem CID43776271
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
SMILESCC(O)CNC1CCSc2c(F)cccc21
InChIInChI=1S/C12H16FNOS/c1-8(15)7-14-11-5-6-16-12-9(11)3-2-4-10(12)13/h2-4,8,11,14-15H,5-7H2,1H3
InChIKeyBUPWAEHIPLAERN-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576
8-fluoro-N-(2-methylsulfinylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115896118
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
8-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63242211
8-chloro-N-(2-methylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115704783
N-ethyl-9-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43539246
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
3-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]pentan-1-ol
CID 113262036
8-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 115894039

Frequently Asked Questions

What is the IUPAC name of 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol (CID 43776271) is 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol is CC(O)CNC1CCSc2c(F)cccc21.
What is the InChIKey of 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
The InChIKey is BUPWAEHIPLAERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-8(15)7-14-11-5-6-16-12-9(11)3-2-4-10(12)13/h2-4,8,11,14-15H,5-7H2,1H3.
What are the key properties of 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol?
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol is sourced from PubChem (CID 43776271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).