3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol

C9H10BrNO — CID 82158932

IUPAC3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
SMILESNC1CC(O)c2cc(Br)ccc21
InChIInChI=1S/C9H10BrNO/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3,8-9,12H,4,11H2
InChIKeyGAXYMVNYFVDZLO-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.89
Rot. Bonds

About 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol

3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol (PubChem CID 82158932) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
PubChem CID82158932
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol
SMILESNC1CC(O)c2cc(Br)ccc21
InChIInChI=1S/C9H10BrNO/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3,8-9,12H,4,11H2
InChIKeyGAXYMVNYFVDZLO-UHFFFAOYSA-N
XLogP1.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
rac-((1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl)methanol
CID 124572260
rac-(1R,3S)-3-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 154878828
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
(1R,3S)-3-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 58426091
N-((1S,3R)-6-bromo-3-hydroxy-2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoroacetamide
CID 86622328
(3R)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 117734362
(3S)-3-amino-4-fluoro-2,3-dihydro-1H-inden-1-ol
CID 164603472
(1S,2R)-1-amino-5-bromo-4,6-difluoro-2,3-dihydro-1H-inden-2-ol
CID 172391723
(1S,2R)-1-amino-5-bromo-4-fluoro-2,3-dihydro-1H-inden-2-ol
CID 172392354
(1S,2R)-1-amino-5-bromo-6-fluoro-2,3-dihydro-1H-inden-2-ol
CID 172392919

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol (CID 82158932) is 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol is NC1CC(O)c2cc(Br)ccc21.
What is the InChIKey of 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GAXYMVNYFVDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-5-1-2-6-7(3-5)9(12)4-8(6)11/h1-3,8-9,12H,4,11H2.
What are the key properties of 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol?
3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol has a molecular weight of 228.09 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82158932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).