(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride

C9H11BrClN — CID 86767649

IUPAC(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.N[C@H]1CCc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN.ClH/c10-7-3-1-6-2-4-9(11)8(6)5-7;/h1,3,5,9H,2,4,11H2;1H/t9-;/m0./s1
InChIKeyNWABIAMMAHTFCD-FVGYRXGTSA-N
MW248.55 g/mol
LogP2.82
Rot. Bonds

About (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride

(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 86767649) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID86767649
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.N[C@H]1CCc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN.ClH/c10-7-3-1-6-2-4-9(11)8(6)5-7;/h1,3,5,9H,2,4,11H2;1H/t9-;/m0./s1
InChIKeyNWABIAMMAHTFCD-FVGYRXGTSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 86767649) is (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cl.N[C@H]1CCc2ccc(Br)cc21.
What is the InChIKey of (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is NWABIAMMAHTFCD-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-7-3-1-6-2-4-9(11)8(6)5-7;/h1,3,5,9H,2,4,11H2;1H/t9-;/m0./s1.
What are the key properties of (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride?
(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-bromo-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 86767649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).