6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H13BrClN — CID 114265381

IUPAC6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(NC2CCc3ccc(Br)cc32)cc1
InChIInChI=1S/C15H13BrClN/c16-11-3-1-10-2-8-15(14(10)9-11)18-13-6-4-12(17)5-7-13/h1,3-7,9,15,18H,2,8H2
InChIKeyBVWGMFDJLGDXTM-UHFFFAOYSA-N
MW322.63 g/mol
LogP5.20
Rot. Bonds2

About 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine

6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114265381) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114265381
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc(NC2CCc3ccc(Br)cc32)cc1
InChIInChI=1S/C15H13BrClN/c16-11-3-1-10-2-8-15(14(10)9-11)18-13-6-4-12(17)5-7-13/h1,3-7,9,15,18H,2,8H2
InChIKeyBVWGMFDJLGDXTM-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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Related Compounds

6-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 25096521
5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 63422795
8-bromo-N-(4-chlorophenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43762324
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
5-bromo-N-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 90851114
N-(3-bromo-5-methylphenyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 107582406
5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63423019
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
[(1R)-6-chloro-2,3-dihydro-1H-inden-1-yl]hydrazine
CID 124537604

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 114265381) is 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1ccc(NC2CCc3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BVWGMFDJLGDXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-11-3-1-10-2-8-15(14(10)9-11)18-13-6-4-12(17)5-7-13/h1,3-7,9,15,18H,2,8H2.
What are the key properties of 6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
6-bromo-N-(4-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-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114265381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).