(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol

C10H13NO2 — CID 130664492

IUPAC(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
SMILESCOc1cc(O)c2c(c1)[C@@H](N)CC2
InChIInChI=1S/C10H13NO2/c1-13-6-4-8-7(10(12)5-6)2-3-9(8)11/h4-5,9,12H,2-3,11H2,1H3/t9-/m0/s1
InChIKeyZVPTXHFPSLRDLC-VIFPVBQESA-N
MW179.22 g/mol
LogP1.35
Rot. Bonds1

About (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol

(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol (PubChem CID 130664492) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
PubChem CID130664492
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
SMILESCOc1cc(O)c2c(c1)[C@@H](N)CC2
InChIInChI=1S/C10H13NO2/c1-13-6-4-8-7(10(12)5-6)2-3-9(8)11/h4-5,9,12H,2-3,11H2,1H3/t9-/m0/s1
InChIKeyZVPTXHFPSLRDLC-VIFPVBQESA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(1S)-1-amino-6-fluoro-2,3-dihydro-1H-inden-4-ol
CID 130639484
(5S)-1-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014415
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
5-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 83891038
(3S)-3-amino-7-iodo-2,3-dihydro-1H-inden-5-ol
CID 130648423
(1R)-1-amino-6-methoxy-2,3-dihydro-1H-inden-5-ol
CID 130688462
(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272365
(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 130706079
(1R)-1-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile
CID 130691990
(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130682288

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol (CID 130664492) is (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol is COc1cc(O)c2c(c1)[C@@H](N)CC2.
What is the InChIKey of (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol?
The InChIKey is ZVPTXHFPSLRDLC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-6-4-8-7(10(12)5-6)2-3-9(8)11/h4-5,9,12H,2-3,11H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol?
(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol has a molecular weight of 179.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 130664492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).