6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H13BrClN — CID 25096521

IUPAC6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3ccc(Br)cc32)c1
InChIInChI=1S/C15H13BrClN/c16-11-6-4-10-5-7-15(14(10)8-11)18-13-3-1-2-12(17)9-13/h1-4,6,8-9,15,18H,5,7H2
InChIKeyLRUCERASQCKYPY-UHFFFAOYSA-N
MW322.63 g/mol
LogP5.20
Rot. Bonds2

About 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 25096521) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID25096521
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3ccc(Br)cc32)c1
InChIInChI=1S/C15H13BrClN/c16-11-6-4-10-5-7-15(14(10)8-11)18-13-3-1-2-12(17)9-13/h1-4,6,8-9,15,18H,5,7H2
InChIKeyLRUCERASQCKYPY-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.63
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 25096521) is 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1cccc(NC2CCc3ccc(Br)cc32)c1.
What is the InChIKey of 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LRUCERASQCKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-11-6-4-10-5-7-15(14(10)8-11)18-13-3-1-2-12(17)9-13/h1-4,6,8-9,15,18H,5,7H2.
What are the key properties of 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 322.63 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25096521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).