3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol

C13H19NO4 — CID 82131838

IUPAC3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)c2c(c1OC)C(O)CC2CN
InChIInChI=1S/C13H19NO4/c1-16-9-5-10(17-2)13(18-3)12-8(15)4-7(6-14)11(9)12/h5,7-8,15H,4,6,14H2,1-3H3
InChIKeyUFIYIXNYXACBHO-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.19
Rot. Bonds4

About 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol

3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 82131838) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID82131838
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc(OC)c2c(c1OC)C(O)CC2CN
InChIInChI=1S/C13H19NO4/c1-16-9-5-10(17-2)13(18-3)12-8(15)4-7(6-14)11(9)12/h5,7-8,15H,4,6,14H2,1-3H3
InChIKeyUFIYIXNYXACBHO-UHFFFAOYSA-N
XLogP1.19
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5,7,8-trimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 82131742
3-(2-aminoethyl)-5,7-dimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159287
(5,7,8-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82133858
2-amino-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol
CID 82159343
3-(aminomethyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 82159280
(2,5-dimethoxy-3-propylsulfanyl-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 166922619
(3S)-3-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-ol
CID 59656246
(1S)-6,7-dimethoxy-3,3,4-trimethyl-1,2-dihydroinden-1-ol
CID 79837954
2,3,5,6-tetramethoxyaniline
CID 19093015
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol (CID 82131838) is 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol is COc1cc(OC)c2c(c1OC)C(O)CC2CN.
What is the InChIKey of 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is UFIYIXNYXACBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-16-9-5-10(17-2)13(18-3)12-8(15)4-7(6-14)11(9)12/h5,7-8,15H,4,6,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol?
3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 253.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6,7-trimethoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82131838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).