4-bromo-2,3-dihydro-1H-inden-1-amine

C9H10BrN — CID 43189451

IUPAC4-bromo-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(Br)cccc21
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H2
InChIKeyMVGZSXVETDUUMZ-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.40
Rot. Bonds

About 4-bromo-2,3-dihydro-1H-inden-1-amine

4-bromo-2,3-dihydro-1H-inden-1-amine (PubChem CID 43189451) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 4-bromo-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-2,3-dihydro-1H-inden-1-amine
PubChem CID43189451
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name4-bromo-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(Br)cccc21
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H2
InChIKeyMVGZSXVETDUUMZ-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
(+-)-1-Aminoindan
CID 123445
1-Aminoindane Hydrochloride
CID 2794441
5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
CA inhibitor, 5
CID 12192061
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
(R)-1-(3-bromophenyl)ethanamine
CID 22831503
1-(2-Bromophenyl)ethan-1-amine
CID 3825290
1-(3-Bromophenyl)ethan-1-amine hydrochloride
CID 21975861
US10301253, Example 13
CID 105500039
(1R)-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 12370443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-2,3-dihydro-1H-inden-1-amine (CID 43189451) is 4-bromo-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MVGZSXVETDUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H2.
What are the key properties of 4-bromo-2,3-dihydro-1H-inden-1-amine?
4-bromo-2,3-dihydro-1H-inden-1-amine has a molecular weight of 212.09 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43189451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).