1-ethyl-5-methyl-3-(phenoxymethyl)indole

C18H19NO — CID 117185186

IUPAC1-ethyl-5-methyl-3-(phenoxymethyl)indole
SMILESCCn1cc(COc2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C18H19NO/c1-3-19-12-15(13-20-16-7-5-4-6-8-16)17-11-14(2)9-10-18(17)19/h4-12H,3,13H2,1-2H3
InChIKeyTZLPIJHSNFYABE-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.55
Rot. Bonds4

About 1-ethyl-5-methyl-3-(phenoxymethyl)indole

1-ethyl-5-methyl-3-(phenoxymethyl)indole (PubChem CID 117185186) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethyl-5-methyl-3-(phenoxymethyl)indole.

Molecular Properties

Compound Name1-ethyl-5-methyl-3-(phenoxymethyl)indole
PubChem CID117185186
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-5-methyl-3-(phenoxymethyl)indole
SMILESCCn1cc(COc2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C18H19NO/c1-3-19-12-15(13-20-16-7-5-4-6-8-16)17-11-14(2)9-10-18(17)19/h4-12H,3,13H2,1-2H3
InChIKeyTZLPIJHSNFYABE-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-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
1,5-dimethyl-3-[(3-methylphenoxy)methyl]indole
CID 117185122
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
1-ethyl-3-[(2-methoxyphenoxy)methyl]-6-methylindole
CID 117185744
3-[(2-chlorophenoxy)methyl]-1-ethyl-6-methylindole
CID 117185740
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
1-ethyl-3-(methoxymethyl)-6-methylindole
CID 117185769
1-(1-ethyl-5-methylindol-3-yl)-N-methylpropan-2-amine
CID 117195502

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-3-(phenoxymethyl)indole?
The IUPAC name of 1-ethyl-5-methyl-3-(phenoxymethyl)indole (CID 117185186) is 1-ethyl-5-methyl-3-(phenoxymethyl)indole.
What is the SMILES notation for 1-ethyl-5-methyl-3-(phenoxymethyl)indole?
The canonical SMILES for 1-ethyl-5-methyl-3-(phenoxymethyl)indole is CCn1cc(COc2ccccc2)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-5-methyl-3-(phenoxymethyl)indole?
The InChIKey is TZLPIJHSNFYABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-3-19-12-15(13-20-16-7-5-4-6-8-16)17-11-14(2)9-10-18(17)19/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-3-(phenoxymethyl)indole?
1-ethyl-5-methyl-3-(phenoxymethyl)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-5-methyl-3-(phenoxymethyl)indole is sourced from PubChem (CID 117185186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).