5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

C10H13BrClN — CID 131697811

IUPAC5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCc1cc(Br)cc2c1C(N)CC2.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-6-4-8(11)5-7-2-3-9(12)10(6)7;/h4-5,9H,2-3,12H2,1H3;1H
InChIKeyLJDWNYOFGPPTPG-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.13
Rot. Bonds

About 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride

5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 131697811) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID131697811
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCc1cc(Br)cc2c1C(N)CC2.Cl
InChIInChI=1S/C10H12BrN.ClH/c1-6-4-8(11)5-7-2-3-9(12)10(6)7;/h4-5,9H,2-3,12H2,1H3;1H
InChIKeyLJDWNYOFGPPTPG-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 131697811) is 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cc1cc(Br)cc2c1C(N)CC2.Cl.
What is the InChIKey of 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is LJDWNYOFGPPTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c1-6-4-8(11)5-7-2-3-9(12)10(6)7;/h4-5,9H,2-3,12H2,1H3;1H.
What are the key properties of 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride?
5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 131697811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).