(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine

C9H10BrN — CID 131850845

IUPAC(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1Br
InChIInChI=1S/C9H10BrN/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKeyYABVTTROFLZJRA-BDAKNGLRSA-N
MW212.09 g/mol
LogP2.01
Rot. Bonds

About (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine (PubChem CID 131850845) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
PubChem CID131850845
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1Br
InChIInChI=1S/C9H10BrN/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1
InChIKeyYABVTTROFLZJRA-BDAKNGLRSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
2-chloro-2,3-dihydro-1H-inden-1-amine
CID 2794190
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;nitric acid
CID 11435788

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine (CID 131850845) is (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine is N[C@H]1c2ccccc2C[C@H]1Br.
What is the InChIKey of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YABVTTROFLZJRA-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9H,5,11H2/t8-,9+/m1/s1.
What are the key properties of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine has a molecular weight of 212.09 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 131850845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).