(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

C14H13BrFNOS — CID 102846179

IUPAC(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1sc(C2C[C@H](N)c3ccc(F)cc3O2)cc1Br
InChIInChI=1S/C14H13BrFNOS/c1-7-10(15)5-14(19-7)13-6-11(17)9-3-2-8(16)4-12(9)18-13/h2-5,11,13H,6,17H2,1H3/t11-,13?/m0/s1
InChIKeyDUTMBHSNWLWERH-AMGKYWFPSA-N
MW342.23 g/mol
LogP4.48
Rot. Bonds1

About (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 102846179) has the molecular formula C14H13BrFNOS and a molecular weight of 342.23 g/mol. Its IUPAC name is (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID102846179
Molecular FormulaC14H13BrFNOS
Molecular Weight342.23 g/mol
Exact Mass340.99
IUPAC Name(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1sc(C2C[C@H](N)c3ccc(F)cc3O2)cc1Br
InChIInChI=1S/C14H13BrFNOS/c1-7-10(15)5-14(19-7)13-6-11(17)9-3-2-8(16)4-12(9)18-13/h2-5,11,13H,6,17H2,1H3/t11-,13?/m0/s1
InChIKeyDUTMBHSNWLWERH-AMGKYWFPSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947998
2-(4-bromo-5-methylthiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846073
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
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
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 102846101
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947651
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 102846179) is (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is Cc1sc(C2C[C@H](N)c3ccc(F)cc3O2)cc1Br.
What is the InChIKey of (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DUTMBHSNWLWERH-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H13BrFNOS/c1-7-10(15)5-14(19-7)13-6-11(17)9-3-2-8(16)4-12(9)18-13/h2-5,11,13H,6,17H2,1H3/t11-,13?/m0/s1.
What are the key properties of (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 342.23 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 102846179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).