(1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine

C9H9BrIN — CID 130625504

IUPAC(1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2cc(I)c(Br)cc21
InChIInChI=1S/C9H9BrIN/c10-7-4-6-5(3-8(7)11)1-2-9(6)12/h3-4,9H,1-2,12H2/t9-/m1/s1
InChIKeySJZDMZVNFHRLLU-SECBINFHSA-N
MW337.99 g/mol
LogP3.00
Rot. Bonds

About (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine

(1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine (PubChem CID 130625504) has the molecular formula C9H9BrIN and a molecular weight of 337.99 g/mol. Its IUPAC name is (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine
PubChem CID130625504
Molecular FormulaC9H9BrIN
Molecular Weight337.99 g/mol
Exact Mass336.90
IUPAC Name(1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@@H]1CCc2cc(I)c(Br)cc21
InChIInChI=1S/C9H9BrIN/c10-7-4-6-5(3-8(7)11)1-2-9(6)12/h3-4,9H,1-2,12H2/t9-/m1/s1
InChIKeySJZDMZVNFHRLLU-SECBINFHSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.99
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol
CID 130624664
(1S)-5-chloro-6-iodo-2,3-dihydro-1H-inden-1-amine
CID 130632447
6-bromo-2,3-dihydro-1H-inden-1-amine;methanamine
CID 174570808
3,6-diamino-2,3-dihydro-1H-inden-5-ol
CID 55294365
6-fluoro-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 55294363
(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
CID 130648423
4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
CID 58962980
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
6-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 50988168
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131123798
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462

Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine (CID 130625504) is (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine is N[C@@H]1CCc2cc(I)c(Br)cc21.
What is the InChIKey of (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SJZDMZVNFHRLLU-SECBINFHSA-N. The full InChI is InChI=1S/C9H9BrIN/c10-7-4-6-5(3-8(7)11)1-2-9(6)12/h3-4,9H,1-2,12H2/t9-/m1/s1.
What are the key properties of (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine?
(1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine has a molecular weight of 337.99 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-5-iodo-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130625504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).