1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole

C19H21NO2 — CID 117186591

IUPAC1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
SMILESCCn1c(COc2cccc(OC)c2)cc2cccc(C)c21
InChIInChI=1S/C19H21NO2/c1-4-20-16(11-15-8-5-7-14(2)19(15)20)13-22-18-10-6-9-17(12-18)21-3/h5-12H,4,13H2,1-3H3
InChIKeyXDJZZQRXCQVWNS-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.56
Rot. Bonds5

About 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole

1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole (PubChem CID 117186591) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole.

Molecular Properties

Compound Name1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
PubChem CID117186591
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
SMILESCCn1c(COc2cccc(OC)c2)cc2cccc(C)c21
InChIInChI=1S/C19H21NO2/c1-4-20-16(11-15-8-5-7-14(2)19(15)20)13-22-18-10-6-9-17(12-18)21-3/h5-12H,4,13H2,1-3H3
InChIKeyXDJZZQRXCQVWNS-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

7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
2-[(3-methoxyphenoxy)methyl]-1-methylindol-7-amine
CID 117183684
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
CID 117186521
1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
CID 117184262
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole?
The IUPAC name of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole (CID 117186591) is 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole.
What is the SMILES notation for 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole?
The canonical SMILES for 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole is CCn1c(COc2cccc(OC)c2)cc2cccc(C)c21.
What is the InChIKey of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole?
The InChIKey is XDJZZQRXCQVWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-20-16(11-15-8-5-7-14(2)19(15)20)13-22-18-10-6-9-17(12-18)21-3/h5-12H,4,13H2,1-3H3.
What are the key properties of 1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole?
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-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-2-[(3-methoxyphenoxy)methyl]-7-methylindole is sourced from PubChem (CID 117186591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).