(2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride

C9H11BrClN — CID 75176180

IUPAC(2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCl.N[C@H]1Cc2ccc(Br)cc2C1
InChIInChI=1S/C9H10BrN.ClH/c10-8-2-1-6-4-9(11)5-7(6)3-8;/h1-3,9H,4-5,11H2;1H/t9-;/m0./s1
InChIKeyZYIZCCGZFWRSTN-FVGYRXGTSA-N
MW248.55 g/mol
LogP2.30
Rot. Bonds

About (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride

(2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride (PubChem CID 75176180) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride.

Molecular Properties

Compound Name(2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride
PubChem CID75176180
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name(2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride
SMILESCl.N[C@H]1Cc2ccc(Br)cc2C1
InChIInChI=1S/C9H10BrN.ClH/c10-8-2-1-6-4-9(11)5-7(6)3-8;/h1-3,9H,4-5,11H2;1H/t9-;/m0./s1
InChIKeyZYIZCCGZFWRSTN-FVGYRXGTSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The IUPAC name of (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride (CID 75176180) is (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride.
What is the SMILES notation for (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The canonical SMILES for (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride is Cl.N[C@H]1Cc2ccc(Br)cc2C1.
What is the InChIKey of (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride?
The InChIKey is ZYIZCCGZFWRSTN-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-8-2-1-6-4-9(11)5-7(6)3-8;/h1-3,9H,4-5,11H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride?
(2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-bromo-2,3-dihydro-1H-inden-2-amine;hydrochloride is sourced from PubChem (CID 75176180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).