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

C15H13BrClN — CID 63422795

IUPAC5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3cc(Br)ccc32)c1
InChIInChI=1S/C15H13BrClN/c16-11-5-6-14-10(8-11)4-7-15(14)18-13-3-1-2-12(17)9-13/h1-3,5-6,8-9,15,18H,4,7H2
InChIKeyKUSYSWXDMCDSHA-UHFFFAOYSA-N
MW322.63 g/mol
LogP5.20
Rot. Bonds2

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

5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 63422795) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID63422795
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESClc1cccc(NC2CCc3cc(Br)ccc32)c1
InChIInChI=1S/C15H13BrClN/c16-11-5-6-14-10(8-11)4-7-15(14)18-13-3-1-2-12(17)9-13/h1-3,5-6,8-9,15,18H,4,7H2
InChIKeyKUSYSWXDMCDSHA-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-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 55198817
6-[3-(3-chloroanilino)-2,3-dihydro-1H-inden-5-yl]-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 90851114
4-N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451436
N-(3-bromo-4-fluorophenyl)-5-chloro-2,3-dihydro-1H-inden-1-amine
CID 104775719
5-bromo-N-(4-bromo-3-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63419334
5-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81366167
5-bromo-N-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 63423019
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 114265381
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 107787981
N-(5-bromo-2,3-dihydro-1H-inden-1-yl)quinolin-6-amine
CID 62636485

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 63422795) is 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is Clc1cccc(NC2CCc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KUSYSWXDMCDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-11-5-6-14-10(8-11)4-7-15(14)18-13-3-1-2-12(17)9-13/h1-3,5-6,8-9,15,18H,4,7H2.
What are the key properties of 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine?
5-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 5-bromo-N-(3-chlorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63422795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).