5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol

C10H12BrNO — CID 83843334

IUPAC5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
SMILESCNC1Cc2cc(Br)ccc2C1O
InChIInChI=1S/C10H12BrNO/c1-12-9-5-6-4-7(11)2-3-8(6)10(9)13/h2-4,9-10,12-13H,5H2,1H3
InChIKeyOQHQUKFUFIJLQC-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.63
Rot. Bonds1

About 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol

5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol (PubChem CID 83843334) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
PubChem CID83843334
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol
SMILESCNC1Cc2cc(Br)ccc2C1O
InChIInChI=1S/C10H12BrNO/c1-12-9-5-6-4-7(11)2-3-8(6)10(9)13/h2-4,9-10,12-13H,5H2,1H3
InChIKeyOQHQUKFUFIJLQC-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 115047924
(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
CID 101243117
6-bromo-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83912581
tert-butyl N-[(2R)-5-bromo-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate
CID 176982067
5-bromo-2,2-dimethyl-1,3-dihydroinden-1-ol
CID 22349568
(2S,3S)-6-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 147048026
5-bromo-N-methyl-2,3-dihydro-1H-indene-1-carboxamide
CID 166828796
5-bromo-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 83680077
ethyl 3-(3-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-oxopropanoate
CID 139765880
methyl (1R,2R)-5-bromo-1-(4-methoxyanilino)-2,3-dihydro-1H-indene-2-carboxylate
CID 71662013
6-bromo-2,3-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 162045632
7-chloro-2-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 83835169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol (CID 83843334) is 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol is CNC1Cc2cc(Br)ccc2C1O.
What is the InChIKey of 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OQHQUKFUFIJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-12-9-5-6-4-7(11)2-3-8(6)10(9)13/h2-4,9-10,12-13H,5H2,1H3.
What are the key properties of 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol?
5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 242.12 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 83843334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).