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

C15H12BrCl2N — CID 55198817

IUPAC5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(NC2CCc3cc(Br)ccc32)c(Cl)c1
InChIInChI=1S/C15H12BrCl2N/c16-10-2-4-12-9(7-10)1-5-14(12)19-15-6-3-11(17)8-13(15)18/h2-4,6-8,14,19H,1,5H2
InChIKeyDYEHKSNAJWUXLB-UHFFFAOYSA-N
MW357.08 g/mol
LogP5.86
Rot. Bonds2

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

5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 55198817) has the molecular formula C15H12BrCl2N and a molecular weight of 357.08 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID55198817
Molecular FormulaC15H12BrCl2N
Molecular Weight357.08 g/mol
Exact Mass354.95
IUPAC Name5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(NC2CCc3cc(Br)ccc32)c(Cl)c1
InChIInChI=1S/C15H12BrCl2N/c16-10-2-4-12-9(7-10)1-5-14(12)19-15-6-3-11(17)8-13(15)18/h2-4,6-8,14,19H,1,5H2
InChIKeyDYEHKSNAJWUXLB-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.08
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107787981
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
N-(5-bromo-2-chlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531008
N-(2-bromo-4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 81263302
N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)naphthalen-1-amine
CID 63418541
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265381
6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 25096521
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103412097
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 55198817) is 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1ccc(NC2CCc3cc(Br)ccc32)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DYEHKSNAJWUXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2N/c16-10-2-4-12-9(7-10)1-5-14(12)19-15-6-3-11(17)8-13(15)18/h2-4,6-8,14,19H,1,5H2.
What are the key properties of 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 357.08 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55198817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).