3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol

C13H19NO3 — CID 82159287

IUPAC3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)c2c(c1)C(CCN)CC2O
InChIInChI=1S/C13H19NO3/c1-16-9-6-10-8(3-4-14)5-11(15)13(10)12(7-9)17-2/h6-8,11,15H,3-5,14H2,1-2H3
InChIKeyIZUCRBYLGWVOAC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.57
Rot. Bonds4

About 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol

3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 82159287) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID82159287
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)c2c(c1)C(CCN)CC2O
InChIInChI=1S/C13H19NO3/c1-16-9-6-10-8(3-4-14)5-11(15)13(10)12(7-9)17-2/h6-8,11,15H,3-5,14H2,1-2H3
InChIKeyIZUCRBYLGWVOAC-UHFFFAOYSA-N
XLogP1.57
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82131838
3-amino-5,7-dimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 82159256
[5-(2-fluoro-4,6-dimethoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117424729
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
(3R,4S)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 95241563
(3S,4R)-3-(aminomethyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-ol
CID 95241564
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
(1S)-1-[(1R,2R)-2-(2,4,6-trimethoxyphenyl)cyclopropyl]ethanamine
CID 124552560
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(2S,4S)-5,7-dimethoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 10755627
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911
2-(5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84628399

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol (CID 82159287) is 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol is COc1cc(OC)c2c(c1)C(CCN)CC2O.
What is the InChIKey of 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IZUCRBYLGWVOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-9-6-10-8(3-4-14)5-11(15)13(10)12(7-9)17-2/h6-8,11,15H,3-5,14H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol?
3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82159287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).