2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol

C12H17NO4 — CID 82159343

IUPAC2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)c(OC)c2c1CC(N)C2O
InChIInChI=1S/C12H17NO4/c1-15-8-5-9(16-2)12(17-3)10-6(8)4-7(13)11(10)14/h5,7,11,14H,4,13H2,1-3H3
InChIKeyYGZOWAUKLQSHSK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.63
Rot. Bonds3

About 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol

2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 82159343) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID82159343
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)c(OC)c2c1CC(N)C2O
InChIInChI=1S/C12H17NO4/c1-15-8-5-9(16-2)12(17-3)10-6(8)4-7(13)11(10)14/h5,7,11,14H,4,13H2,1-3H3
InChIKeyYGZOWAUKLQSHSK-UHFFFAOYSA-N
XLogP0.63
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 54139866
3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82131838
(2R,3S)-3-amino-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 13162191
5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 66009081
2,3,5,6-tetramethoxyaniline
CID 19093015
4-amino-5,7,8-trimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 82159726
1-tert-butyl-5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373438
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014418
(5S)-1-fluoro-3,4-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014447
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol (CID 82159343) is 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol is COc1cc(OC)c(OC)c2c1CC(N)C2O.
What is the InChIKey of 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is YGZOWAUKLQSHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-8-5-9(16-2)12(17-3)10-6(8)4-7(13)11(10)14/h5,7,11,14H,4,13H2,1-3H3.
What are the key properties of 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 239.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82159343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).