7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

C13H12BrNOS — CID 114709140

IUPAC7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cccs2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H12BrNOS/c14-8-3-4-9-10(15)7-12(16-11(9)6-8)13-2-1-5-17-13/h1-6,10,12H,7,15H2
InChIKeyVHVMWMDBCSCHTP-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.03
Rot. Bonds1

About 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine

7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709140) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709140
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cccs2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H12BrNOS/c14-8-3-4-9-10(15)7-12(16-11(9)6-8)13-2-1-5-17-13/h1-6,10,12H,7,15H2
InChIKeyVHVMWMDBCSCHTP-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946079
(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945595
2-(1-benzothiophen-3-yl)-7-bromo-3,4-dihydro-2H-chromen-4-amine
CID 114709182
6-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709810
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945527
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4S)-6-bromo-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947196
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625
(4R)-7-bromo-2-[3-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 104945469

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 114709140) is 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2cccs2)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VHVMWMDBCSCHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c14-8-3-4-9-10(15)7-12(16-11(9)6-8)13-2-1-5-17-13/h1-6,10,12H,7,15H2.
What are the key properties of 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine?
7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 310.22 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).