2-(methoxymethyl)-1,3-dimethylindole

C12H15NO — CID 101050705

IUPAC2-(methoxymethyl)-1,3-dimethylindole
SMILESCOCc1c(C)c2ccccc2n1C
InChIInChI=1S/C12H15NO/c1-9-10-6-4-5-7-11(10)13(2)12(9)8-14-3/h4-7H,8H2,1-3H3
InChIKeyAUDYVJMVTGILIX-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.63
Rot. Bonds2

About 2-(methoxymethyl)-1,3-dimethylindole

2-(methoxymethyl)-1,3-dimethylindole (PubChem CID 101050705) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3-dimethylindole.

Molecular Properties

Compound Name2-(methoxymethyl)-1,3-dimethylindole
PubChem CID101050705
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(methoxymethyl)-1,3-dimethylindole
SMILESCOCc1c(C)c2ccccc2n1C
InChIInChI=1S/C12H15NO/c1-9-10-6-4-5-7-11(10)13(2)12(9)8-14-3/h4-7H,8H2,1-3H3
InChIKeyAUDYVJMVTGILIX-UHFFFAOYSA-N
XLogP2.63
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dimethylindol-2-yl)butan-2-one
CID 14147978
N-[(1,3-dimethylindol-2-yl)methyl]-4-methoxybutan-2-amine
CID 107235779
1,3-dimethyl-2-tridecylindole
CID 122371242
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
ethane;1,2,3-trimethylindole
CID 91590745
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533
N-[(1,3-dimethylindol-2-yl)methyl]-3-ethenoxypropan-1-amine
CID 107234807
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351
1-(2-chlorophenyl)-N-[(1,3-dimethylindol-2-yl)methyl]methanamine
CID 107234583
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,3-dimethylindole?
The IUPAC name of 2-(methoxymethyl)-1,3-dimethylindole (CID 101050705) is 2-(methoxymethyl)-1,3-dimethylindole.
What is the SMILES notation for 2-(methoxymethyl)-1,3-dimethylindole?
The canonical SMILES for 2-(methoxymethyl)-1,3-dimethylindole is COCc1c(C)c2ccccc2n1C.
What is the InChIKey of 2-(methoxymethyl)-1,3-dimethylindole?
The InChIKey is AUDYVJMVTGILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-10-6-4-5-7-11(10)13(2)12(9)8-14-3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-1,3-dimethylindole?
2-(methoxymethyl)-1,3-dimethylindole has a molecular weight of 189.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,3-dimethylindole is sourced from PubChem (CID 101050705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).