(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine

C13H11Br2NOS — CID 104945569

IUPAC(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(Br)s2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H11Br2NOS/c14-7-1-2-8-9(16)6-11(17-10(8)5-7)12-3-4-13(15)18-12/h1-5,9,11H,6,16H2/t9-,11?/m1/s1
InChIKeyOUGGJEGBBAEUHN-BFHBGLAWSA-N
MW389.11 g/mol
LogP4.80
Rot. Bonds1

About (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine

(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945569) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945569
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(Br)s2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H11Br2NOS/c14-7-1-2-8-9(16)6-11(17-10(8)5-7)12-3-4-13(15)18-12/h1-5,9,11H,6,16H2/t9-,11?/m1/s1
InChIKeyOUGGJEGBBAEUHN-BFHBGLAWSA-N
XLogP4.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.80
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
7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946500
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945595
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715828
(4R)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945527
2-(1-benzothiophen-3-yl)-7-bromo-3,4-dihydro-2H-chromen-4-amine
CID 114709182

Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104945569) is (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccc(Br)s2)Oc2cc(Br)ccc21.
What is the InChIKey of (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OUGGJEGBBAEUHN-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c14-7-1-2-8-9(16)6-11(17-10(8)5-7)12-3-4-13(15)18-12/h1-5,9,11H,6,16H2/t9-,11?/m1/s1.
What are the key properties of (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 389.11 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).