5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

C16H14Br3NO — CID 103412097

IUPAC5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc(NC2CCc3cc(Br)ccc32)c(Br)cc1Br
InChIInChI=1S/C16H14Br3NO/c1-21-16-8-15(12(18)7-13(16)19)20-14-5-2-9-6-10(17)3-4-11(9)14/h3-4,6-8,14,20H,2,5H2,1H3
InChIKeyRGLWNFKRCFUJRQ-UHFFFAOYSA-N
MW476.01 g/mol
LogP6.08
Rot. Bonds3

About 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103412097) has the molecular formula C16H14Br3NO and a molecular weight of 476.01 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103412097
Molecular FormulaC16H14Br3NO
Molecular Weight476.01 g/mol
Exact Mass472.86
IUPAC Name5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1cc(NC2CCc3cc(Br)ccc32)c(Br)cc1Br
InChIInChI=1S/C16H14Br3NO/c1-21-16-8-15(12(18)7-13(16)19)20-14-5-2-9-6-10(17)3-4-11(9)14/h3-4,6-8,14,20H,2,5H2,1H3
InChIKeyRGLWNFKRCFUJRQ-UHFFFAOYSA-N
XLogP6.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.01
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-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

1-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 103412279
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 103411527
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107787981
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)naphthalen-1-amine
CID 63418541
5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63419334
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103411369
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-fluoro-4-methoxybenzamide
CID 86832844
1-(4-bromo-2-methoxy-6-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682189
5-bromo-N-(2-ethylsulfonylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 133269650
3-(2,4-dibromo-5-methoxyanilino)-1-methylpyrrolidin-2-one
CID 103412782
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine (CID 103412097) is 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine is COc1cc(NC2CCc3cc(Br)ccc32)c(Br)cc1Br.
What is the InChIKey of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RGLWNFKRCFUJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br3NO/c1-21-16-8-15(12(18)7-13(16)19)20-14-5-2-9-6-10(17)3-4-11(9)14/h3-4,6-8,14,20H,2,5H2,1H3.
What are the key properties of 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 476.01 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103412097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).