6-bromo-1-methyl-2,3-dihydroinden-1-amine

C10H12BrN — CID 83756228

IUPAC6-bromo-1-methyl-2,3-dihydroinden-1-amine
SMILESCC1(N)CCc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-10(12)5-4-7-2-3-8(11)6-9(7)10/h2-3,6H,4-5,12H2,1H3
InChIKeyIDBQMDFPQLXTQK-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.57
Rot. Bonds

About 6-bromo-1-methyl-2,3-dihydroinden-1-amine

6-bromo-1-methyl-2,3-dihydroinden-1-amine (PubChem CID 83756228) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 6-bromo-1-methyl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-bromo-1-methyl-2,3-dihydroinden-1-amine
PubChem CID83756228
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name6-bromo-1-methyl-2,3-dihydroinden-1-amine
SMILESCC1(N)CCc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-10(12)5-4-7-2-3-8(11)6-9(7)10/h2-3,6H,4-5,12H2,1H3
InChIKeyIDBQMDFPQLXTQK-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-2,3-dihydroinden-1-amine?
The IUPAC name of 6-bromo-1-methyl-2,3-dihydroinden-1-amine (CID 83756228) is 6-bromo-1-methyl-2,3-dihydroinden-1-amine.
What is the SMILES notation for 6-bromo-1-methyl-2,3-dihydroinden-1-amine?
The canonical SMILES for 6-bromo-1-methyl-2,3-dihydroinden-1-amine is CC1(N)CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyl-2,3-dihydroinden-1-amine?
The InChIKey is IDBQMDFPQLXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-10(12)5-4-7-2-3-8(11)6-9(7)10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 6-bromo-1-methyl-2,3-dihydroinden-1-amine?
6-bromo-1-methyl-2,3-dihydroinden-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 83756228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).