(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine

C12H16FNOS — CID 104947818

IUPAC(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSCCC1C[C@@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C12H16FNOS/c1-16-5-4-9-7-11(14)10-3-2-8(13)6-12(10)15-9/h2-3,6,9,11H,4-5,7,14H2,1H3/t9?,11-/m1/s1
InChIKeyZCIQJWPNGIMWFG-HCCKASOXSA-N
MW241.33 g/mol
LogP2.73
Rot. Bonds3

About (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947818) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947818
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSCCC1C[C@@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C12H16FNOS/c1-16-5-4-9-7-11(14)10-3-2-8(13)6-12(10)15-9/h2-3,6,9,11H,4-5,7,14H2,1H3/t9?,11-/m1/s1
InChIKeyZCIQJWPNGIMWFG-HCCKASOXSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
(4S)-7-fluoro-2-(2-methylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947717
6-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714035
(4S)-6-chloro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945167
7-fluoro-2-(2-phenylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710317
(4R)-6-bromo-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090694
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4S)-2-butan-2-yl-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947666
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
2-benzyl-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708632

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947818) is (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine is CSCCC1C[C@@H](N)c2ccc(F)cc2O1.
What is the InChIKey of (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZCIQJWPNGIMWFG-HCCKASOXSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-16-5-4-9-7-11(14)10-3-2-8(13)6-12(10)15-9/h2-3,6,9,11H,4-5,7,14H2,1H3/t9?,11-/m1/s1.
What are the key properties of (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 241.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-(2-methylsulfanylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).