1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole

C18H18FNO — CID 117177248

IUPAC1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
SMILESCCn1c(COc2cccc(C)c2)cc2cc(F)ccc21
InChIInChI=1S/C18H18FNO/c1-3-20-16(11-14-10-15(19)7-8-18(14)20)12-21-17-6-4-5-13(2)9-17/h4-11H,3,12H2,1-2H3
InChIKeyJLUQIANQLPIUAM-UHFFFAOYSA-N
MW283.35 g/mol
LogP4.69
Rot. Bonds4

About 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole

1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole (PubChem CID 117177248) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
PubChem CID117177248
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
SMILESCCn1c(COc2cccc(C)c2)cc2cc(F)ccc21
InChIInChI=1S/C18H18FNO/c1-3-20-16(11-14-10-15(19)7-8-18(14)20)12-21-17-6-4-5-13(2)9-17/h4-11H,3,12H2,1-2H3
InChIKeyJLUQIANQLPIUAM-UHFFFAOYSA-N
XLogP4.69
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
CID 117180708
4-[(1-ethyl-5-methylindol-2-yl)methoxy]phenol
CID 117185480
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
5-chloro-1-methyl-2-[(3-methylphenoxy)methyl]indole
CID 117176751
[1-methyl-2-[(3-methylphenoxy)methyl]indol-5-yl]methanamine
CID 117176538
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole?
The IUPAC name of 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole (CID 117177248) is 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole is CCn1c(COc2cccc(C)c2)cc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole?
The InChIKey is JLUQIANQLPIUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO/c1-3-20-16(11-14-10-15(19)7-8-18(14)20)12-21-17-6-4-5-13(2)9-17/h4-11H,3,12H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole?
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole has a molecular weight of 283.35 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole is sourced from PubChem (CID 117177248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).