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

C9H10BrN — CID 142687946

IUPAC(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccccc2[C@@H]1Br
InChIInChI=1S/C9H10BrN/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9H,5,11H2/t8?,9-/m0/s1
InChIKeyNSWLEHKFHVBFFR-GKAPJAKFSA-N
MW212.09 g/mol
LogP2.01
Rot. Bonds

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

(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine (PubChem CID 142687946) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
PubChem CID142687946
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccccc2[C@@H]1Br
InChIInChI=1S/C9H10BrN/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9H,5,11H2/t8?,9-/m0/s1
InChIKeyNSWLEHKFHVBFFR-GKAPJAKFSA-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
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
2-benzyl-1-bromo-2,3-dihydro-1H-indene
CID 63470495
(1R,2R)-1-N,1-N-dimethyl-2,3-dihydro-1H-indene-1,2-diamine
CID 58717461
(1R)-1-propyl-2,3-dihydro-1H-inden-2-amine
CID 143271430
1-bromo-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192449
1-bromo-2-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55192638

Frequently Asked Questions

What is the IUPAC name of (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine (CID 142687946) is (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine is NC1Cc2ccccc2[C@@H]1Br.
What is the InChIKey of (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine?
The InChIKey is NSWLEHKFHVBFFR-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H10BrN/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9H,5,11H2/t8?,9-/m0/s1.
What are the key properties of (1S)-1-bromo-2,3-dihydro-1H-inden-2-amine?
(1S)-1-bromo-2,3-dihydro-1H-inden-2-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)-1-bromo-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 142687946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).