8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

C16H15F2NS — CID 43232589

IUPAC8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccccc1CNC1CCSc2c(F)cccc21
InChIInChI=1S/C16H15F2NS/c17-13-6-2-1-4-11(13)10-19-15-8-9-20-16-12(15)5-3-7-14(16)18/h1-7,15,19H,8-10H2
InChIKeyZQHAMKPUWGBUAD-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.29
Rot. Bonds3

About 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43232589) has the molecular formula C16H15F2NS and a molecular weight of 291.37 g/mol. Its IUPAC name is 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43232589
Molecular FormulaC16H15F2NS
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccccc1CNC1CCSc2c(F)cccc21
InChIInChI=1S/C16H15F2NS/c17-13-6-2-1-4-11(13)10-19-15-8-9-20-16-12(15)5-3-7-14(16)18/h1-7,15,19H,8-10H2
InChIKeyZQHAMKPUWGBUAD-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-fluoro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232596
8-fluoro-N-(furan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115607143
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
8-fluoro-N-(1,2-oxazol-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 81170969
8-fluoro-N-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 63001031
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-naphthalen-1-ylacetamide
CID 25401650
8-fluoro-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113348557
8-fluoro-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115575511
1-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]propan-2-ol
CID 43776271
2-[1-[[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114750757
8-fluoro-N-(2-phenylsulfanylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 60976209
4-[(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-2-ol
CID 64912576

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43232589) is 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccccc1CNC1CCSc2c(F)cccc21.
What is the InChIKey of 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZQHAMKPUWGBUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NS/c17-13-6-2-1-4-11(13)10-19-15-8-9-20-16-12(15)5-3-7-14(16)18/h1-7,15,19H,8-10H2.
What are the key properties of 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 291.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43232589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).