(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine

C10H12BrN — CID 67023940

IUPAC(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine
SMILESNCC1CCc2cc(Br)ccc21
InChIInChI=1S/C10H12BrN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2,6,12H2
InChIKeyVWQZJOMQTCXOCG-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.44
Rot. Bonds1

About (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine

(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine (PubChem CID 67023940) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine
PubChem CID67023940
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine
SMILESNCC1CCc2cc(Br)ccc21
InChIInChI=1S/C10H12BrN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2,6,12H2
InChIKeyVWQZJOMQTCXOCG-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine?
The IUPAC name of (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine (CID 67023940) is (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine.
What is the SMILES notation for (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine?
The canonical SMILES for (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine is NCC1CCc2cc(Br)ccc21.
What is the InChIKey of (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine?
The InChIKey is VWQZJOMQTCXOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2,6,12H2.
What are the key properties of (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine?
(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine has a molecular weight of 226.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine is sourced from PubChem (CID 67023940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).