6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine

C13H11Br2NOS — CID 112739916

IUPAC6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cscc2Br)Oc2ccc(Br)cc21
InChIInChI=1S/C13H11Br2NOS/c14-7-1-2-12-8(3-7)11(16)4-13(17-12)9-5-18-6-10(9)15/h1-3,5-6,11,13H,4,16H2
InChIKeyCYLVWLYRLMHOHO-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.80
Rot. Bonds1

About 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 112739916) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID112739916
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cscc2Br)Oc2ccc(Br)cc21
InChIInChI=1S/C13H11Br2NOS/c14-7-1-2-12-8(3-7)11(16)4-13(17-12)9-5-18-6-10(9)15/h1-3,5-6,11,13H,4,16H2
InChIKeyCYLVWLYRLMHOHO-UHFFFAOYSA-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

Analyze 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
(4R)-6-bromo-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947376
(4S)-6-bromo-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947196
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237
(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946460

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine (CID 112739916) is 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2cscc2Br)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CYLVWLYRLMHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c14-7-1-2-12-8(3-7)11(16)4-13(17-12)9-5-18-6-10(9)15/h1-3,5-6,11,13H,4,16H2.
What are the key properties of 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(4-bromothiophen-3-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 6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 112739916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).