1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole

C19H21NO2 — CID 117185744

IUPAC1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole
SMILESCCn1cc(COc2ccccc2OC)c2ccc(C)cc21
InChIInChI=1S/C19H21NO2/c1-4-20-12-15(16-10-9-14(2)11-17(16)20)13-22-19-8-6-5-7-18(19)21-3/h5-12H,4,13H2,1-3H3
InChIKeyNSEXGBCXVAJDKY-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.56
Rot. Bonds5

About 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole

1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole (PubChem CID 117185744) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole.

Molecular Properties

Compound Name1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole
PubChem CID117185744
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole
SMILESCCn1cc(COc2ccccc2OC)c2ccc(C)cc21
InChIInChI=1S/C19H21NO2/c1-4-20-12-15(16-10-9-14(2)11-17(16)20)13-22-19-8-6-5-7-18(19)21-3/h5-12H,4,13H2,1-3H3
InChIKeyNSEXGBCXVAJDKY-UHFFFAOYSA-N
XLogP4.56
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
CID 117185740
1-ethyl-3-(methoxymethyl)-6-methylindole
CID 117185769
1-ethyl-3-[(2-methylphenoxy)methyl]indol-6-ol
CID 117178934
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
1-ethyl-3-[(2-hydroxyphenoxy)methyl]indole-6-carboxylic acid
CID 117179171
1-(1-ethyl-6-methylindol-3-yl)-N-methylmethanamine
CID 117185713
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
CID 117196204
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole?
The IUPAC name of 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole (CID 117185744) is 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole.
What is the SMILES notation for 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole?
The canonical SMILES for 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole is CCn1cc(COc2ccccc2OC)c2ccc(C)cc21.
What is the InChIKey of 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole?
The InChIKey is NSEXGBCXVAJDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-20-12-15(16-10-9-14(2)11-17(16)20)13-22-19-8-6-5-7-18(19)21-3/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole?
1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole has a molecular weight of 295.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole is sourced from PubChem (CID 117185744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).