1-ethyl-2-[(3-methylphenoxy)methyl]indole

C18H19NO — CID 117173866

IUPAC1-ethyl-2-[(3-methylphenoxy)methyl]indole
SMILESCCn1c(COc2cccc(C)c2)cc2ccccc21
InChIInChI=1S/C18H19NO/c1-3-19-16(12-15-8-4-5-10-18(15)19)13-20-17-9-6-7-14(2)11-17/h4-12H,3,13H2,1-2H3
InChIKeyKBRZYWZLDXYSIO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.55
Rot. Bonds4

About 1-ethyl-2-[(3-methylphenoxy)methyl]indole

1-ethyl-2-[(3-methylphenoxy)methyl]indole (PubChem CID 117173866) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethyl-2-[(3-methylphenoxy)methyl]indole.

Molecular Properties

Compound Name1-ethyl-2-[(3-methylphenoxy)methyl]indole
PubChem CID117173866
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-2-[(3-methylphenoxy)methyl]indole
SMILESCCn1c(COc2cccc(C)c2)cc2ccccc21
InChIInChI=1S/C18H19NO/c1-3-19-16(12-15-8-4-5-10-18(15)19)13-20-17-9-6-7-14(2)11-17/h4-12H,3,13H2,1-2H3
InChIKeyKBRZYWZLDXYSIO-UHFFFAOYSA-N
XLogP4.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-(ethoxymethyl)-1-ethylindole
CID 117173973
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
1-ethyl-2-(phenoxymethyl)indole-6-carboxylic acid
CID 117180897

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(3-methylphenoxy)methyl]indole?
The IUPAC name of 1-ethyl-2-[(3-methylphenoxy)methyl]indole (CID 117173866) is 1-ethyl-2-[(3-methylphenoxy)methyl]indole.
What is the SMILES notation for 1-ethyl-2-[(3-methylphenoxy)methyl]indole?
The canonical SMILES for 1-ethyl-2-[(3-methylphenoxy)methyl]indole is CCn1c(COc2cccc(C)c2)cc2ccccc21.
What is the InChIKey of 1-ethyl-2-[(3-methylphenoxy)methyl]indole?
The InChIKey is KBRZYWZLDXYSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-19-16(12-15-8-4-5-10-18(15)19)13-20-17-9-6-7-14(2)11-17/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-ethyl-2-[(3-methylphenoxy)methyl]indole?
1-ethyl-2-[(3-methylphenoxy)methyl]indole has a molecular weight of 265.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(3-methylphenoxy)methyl]indole is sourced from PubChem (CID 117173866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).