(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H16FNOS — CID 104944427

IUPAC(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSc1ccc(C2C[C@@H](N)c3cc(F)ccc3O2)cc1
InChIInChI=1S/C16H16FNOS/c1-20-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)19-16/h2-8,14,16H,9,18H2,1H3/t14-,16?/m1/s1
InChIKeyXIWVYQQGZDJQSQ-IURRXHLWSA-N
MW289.38 g/mol
LogP4.07
Rot. Bonds2

About (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine

(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944427) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944427
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCSc1ccc(C2C[C@@H](N)c3cc(F)ccc3O2)cc1
InChIInChI=1S/C16H16FNOS/c1-20-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)19-16/h2-8,14,16H,9,18H2,1H3/t14-,16?/m1/s1
InChIKeyXIWVYQQGZDJQSQ-IURRXHLWSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237
(4S)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948023
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
(4R)-2-(1-ethylpyrazol-4-yl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 103571272
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104944427) is (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine is CSc1ccc(C2C[C@@H](N)c3cc(F)ccc3O2)cc1.
What is the InChIKey of (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XIWVYQQGZDJQSQ-IURRXHLWSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-20-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)19-16/h2-8,14,16H,9,18H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).