[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol

C10H12BrNO — CID 124572260

IUPAC[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol
SMILESN[C@H]1c2ccc(Br)cc2C[C@H]1CO
InChIInChI=1S/C10H12BrNO/c11-8-1-2-9-6(4-8)3-7(5-13)10(9)12/h1-2,4,7,10,13H,3,5,12H2/t7-,10+/m0/s1
InChIKeyAQVATOMCWFABCU-OIBJUYFYSA-N
MW242.12 g/mol
LogP1.61
Rot. Bonds1

About [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol

[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol (PubChem CID 124572260) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol.

Molecular Properties

Compound Name[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol
PubChem CID124572260
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol
SMILESN[C@H]1c2ccc(Br)cc2C[C@H]1CO
InChIInChI=1S/C10H12BrNO/c11-8-1-2-9-6(4-8)3-7(5-13)10(9)12/h1-2,4,7,10,13H,3,5,12H2/t7-,10+/m0/s1
InChIKeyAQVATOMCWFABCU-OIBJUYFYSA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-(4-bromophenyl)propan-1-ol
CID 24729692
rac-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]methanol
CID 17039428
3-Amino-3-(3-bromo-phenyl)-propan-1-ol
CID 44891234
3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
CID 82158932
2-Amino-2-(4-bromo-2-methylphenyl)ethan-1-ol hydrochloride
CID 138109643
(1-amino-6-bromo-2,3-dihydro-1H-inden-1-yl)methanol
CID 83912717
(1-amino-2,3-dihydro-1H-inden-2-yl)methanol
CID 12199373
2-[(1R)-1-amino-6-bromo-2,3-dihydroinden-1-yl]-2,2-difluoroethanol
CID 71059327
2-[(1S)-1-amino-6-bromo-2,3-dihydroinden-1-yl]-2,2-difluoroethanol
CID 71059471
2-(1-Amino-6-bromo-2,3-dihydroinden-1-yl)-2,2-difluoroethanol
CID 77998483
(1-Amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol
CID 131305600
[(1R)-1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl]methanol
CID 131328809

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol?
The IUPAC name of [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol (CID 124572260) is [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol.
What is the SMILES notation for [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol?
The canonical SMILES for [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol is N[C@H]1c2ccc(Br)cc2C[C@H]1CO.
What is the InChIKey of [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol?
The InChIKey is AQVATOMCWFABCU-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-1-2-9-6(4-8)3-7(5-13)10(9)12/h1-2,4,7,10,13H,3,5,12H2/t7-,10+/m0/s1.
What are the key properties of [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol?
[(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol has a molecular weight of 242.12 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl]methanol is sourced from PubChem (CID 124572260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).