(1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol

C10H12BrNO — CID 83912717

IUPAC(1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO/c11-8-2-1-7-3-4-10(12,6-13)9(7)5-8/h1-2,5,13H,3-4,6,12H2
InChIKeyKQSZRPHDZWVPOC-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.54
Rot. Bonds1

About (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol

(1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol (PubChem CID 83912717) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol
PubChem CID83912717
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2ccc(Br)cc21
InChIInChI=1S/C10H12BrNO/c11-8-2-1-7-3-4-10(12,6-13)9(7)5-8/h1-2,5,13H,3-4,6,12H2
InChIKeyKQSZRPHDZWVPOC-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-2,3-dihydro-1H-inden-1-yl)methanol
CID 10702154
2-Amino-2-(4-bromophenyl)propan-1-ol hydrochloride
CID 119031113
2-Amino-2-(3-bromophenyl)propan-1-ol hydrochloride
CID 121347556
2-Amino-2-(4-bromo-2-methylphenyl)ethan-1-ol hydrochloride
CID 138109643
2-Amino-2-(4-bromophenyl)propan-1-ol
CID 61055622
rac-((1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl)methanol
CID 124572260
(2R)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 60201626
2-Amino-2-(3-bromophenyl)propan-1-ol
CID 53256694
(2-Amino-4-bromo-7-fluoro-1,3-dihydroinden-2-yl)methanol
CID 58466660
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
(R)-N-[(1R)-6-bromo-1-(1,1-difluoro-2-hydroxyethyl)-2,3-dihydroinden-1-yl]-2-methylpropane-2-sulfinamide
CID 71078773

Frequently Asked Questions

What is the IUPAC name of (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol (CID 83912717) is (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol is NC1(CO)CCc2ccc(Br)cc21.
What is the InChIKey of (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol?
The InChIKey is KQSZRPHDZWVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-8-2-1-7-3-4-10(12,6-13)9(7)5-8/h1-2,5,13H,3-4,6,12H2.
What are the key properties of (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol?
(1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol has a molecular weight of 242.12 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-6-bromo-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 83912717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).