(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol

C9H10BrNO — CID 130647724

IUPAC(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
SMILESN[C@@H]1CCc2c(O)ccc(Br)c21
InChIInChI=1S/C9H10BrNO/c10-6-2-4-8(12)5-1-3-7(11)9(5)6/h2,4,7,12H,1,3,11H2/t7-/m1/s1
InChIKeyFYFTYUGXAAYTFI-SSDOTTSWSA-N
MW228.09 g/mol
LogP2.10
Rot. Bonds

About (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol

(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol (PubChem CID 130647724) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
PubChem CID130647724
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol
SMILESN[C@@H]1CCc2c(O)ccc(Br)c21
InChIInChI=1S/C9H10BrNO/c10-6-2-4-8(12)5-1-3-7(11)9(5)6/h2,4,7,12H,1,3,11H2/t7-/m1/s1
InChIKeyFYFTYUGXAAYTFI-SSDOTTSWSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-amino-7-chloro-2,3-dihydro-1H-inden-4-ol
CID 55278137
(1R)-7-bromo-4-chloro-2,3-dihydro-1H-inden-1-amine
CID 131076803
(1S)-1-amino-7-bromo-2,3-dihydro-1H-indene-4-carboxamide
CID 130626632
1,4-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62736180
(3R)-3-amino-7-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130645514
(5S)-5-amino-4-ethyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 131096656
6-amino-5,6,7,8-tetrahydronaphthalene-1,4-diol;hydrobromide
CID 90678179
7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol
CID 145171069
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
(1S)-5-bromo-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131887016
4-bromo-1-methoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943132
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol (CID 130647724) is (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol is N[C@@H]1CCc2c(O)ccc(Br)c21.
What is the InChIKey of (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol?
The InChIKey is FYFTYUGXAAYTFI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-6-2-4-8(12)5-1-3-7(11)9(5)6/h2,4,7,12H,1,3,11H2/t7-/m1/s1.
What are the key properties of (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol?
(1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol has a molecular weight of 228.09 g/mol, XLogP of 2.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-7-bromo-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 130647724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).