(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol

C12H16N2O2 — CID 129236952

IUPAC(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol
SMILESCOC(O)c1ccc(N)c2c(C)c(C)[nH]c12
InChIInChI=1S/C12H16N2O2/c1-6-7(2)14-11-8(12(15)16-3)4-5-9(13)10(6)11/h4-5,12,14-15H,13H2,1-3H3
InChIKeyHYIMJSIMNIOOOE-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.00
Rot. Bonds2

About (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol

(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol (PubChem CID 129236952) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol.

Molecular Properties

Compound Name(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol
PubChem CID129236952
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol
SMILESCOC(O)c1ccc(N)c2c(C)c(C)[nH]c12
InChIInChI=1S/C12H16N2O2/c1-6-7(2)14-11-8(12(15)16-3)4-5-9(13)10(6)11/h4-5,12,14-15H,13H2,1-3H3
InChIKeyHYIMJSIMNIOOOE-UHFFFAOYSA-N
XLogP2.00
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol?
The IUPAC name of (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol (CID 129236952) is (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol.
What is the SMILES notation for (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol?
The canonical SMILES for (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol is COC(O)c1ccc(N)c2c(C)c(C)[nH]c12.
What is the InChIKey of (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol?
The InChIKey is HYIMJSIMNIOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-6-7(2)14-11-8(12(15)16-3)4-5-9(13)10(6)11/h4-5,12,14-15H,13H2,1-3H3.
What are the key properties of (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol?
(4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol has a molecular weight of 220.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,3-dimethyl-1H-indol-7-yl)-methoxymethanol is sourced from PubChem (CID 129236952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).