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

C16H15F2NS — CID 43230785

IUPAC6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc2c(c1)C(NCc1ccccc1F)CCS2
InChIInChI=1S/C16H15F2NS/c17-12-5-6-16-13(9-12)15(7-8-20-16)19-10-11-3-1-2-4-14(11)18/h1-6,9,15,19H,7-8,10H2
InChIKeyWEZMJTPUVNAHOD-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.29
Rot. Bonds3

About 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine

6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43230785) has the molecular formula C16H15F2NS and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43230785
Molecular FormulaC16H15F2NS
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1ccc2c(c1)C(NCc1ccccc1F)CCS2
InChIInChI=1S/C16H15F2NS/c17-12-5-6-16-13(9-12)15(7-8-20-16)19-10-11-3-1-2-4-14(11)18/h1-6,9,15,19H,7-8,10H2
InChIKeyWEZMJTPUVNAHOD-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

N-[(2,6-difluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43230816
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103779098
N-[(3-chloro-4-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 81148308
8-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232589
6-fluoro-N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230799
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
5-[[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 119126589
6-fluoro-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61171009
(4R)-6-fluoro-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 95380317
N-(3,3-dimethylbutyl)-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 62949456
6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 112839009
(4S)-6-fluoro-N-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 124559424

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43230785) is 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1ccc2c(c1)C(NCc1ccccc1F)CCS2.
What is the InChIKey of 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WEZMJTPUVNAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NS/c17-12-5-6-16-13(9-12)15(7-8-20-16)19-10-11-3-1-2-4-14(11)18/h1-6,9,15,19H,7-8,10H2.
What are the key properties of 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine?
6-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 6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43230785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).