3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole

C22H20FNO — CID 152686747

IUPAC3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole
SMILESCCOCc1cn(Cc2cccc3ccccc23)c2ccc(F)cc12
InChIInChI=1S/C22H20FNO/c1-2-25-15-18-14-24(22-11-10-19(23)12-21(18)22)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,14H,2,13,15H2,1H3
InChIKeyZOSMBQFVCODBSH-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.52
Rot. Bonds5

About 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole

3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole (PubChem CID 152686747) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole.

Molecular Properties

Compound Name3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole
PubChem CID152686747
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole
SMILESCCOCc1cn(Cc2cccc3ccccc23)c2ccc(F)cc12
InChIInChI=1S/C22H20FNO/c1-2-25-15-18-14-24(22-11-10-19(23)12-21(18)22)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,14H,2,13,15H2,1H3
InChIKeyZOSMBQFVCODBSH-UHFFFAOYSA-N
XLogP5.52
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-1-(naphthalen-1-ylmethyl)indol-3-yl]methyl]-N-methylmethanesulfonamide
CID 141176795
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
2-[6-fluoro-1-[(2-fluorophenyl)methyl]-4-oxoquinolin-3-yl]acetic acid
CID 45274855
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 10316516
1-[(2,4-difluorophenyl)methyl]-3-(ethoxymethyl)-N-hydroxypyrrolo[3,2-b]pyridine-5-carboxamide
CID 87747617
3-(ethylcarbamoyloxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 141176775
3-[2-[ethyl(methyl)amino]-2-oxoethyl]-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
CID 58900226
1-(3-ethyl-5-fluoroindol-1-yl)propan-2-amine
CID 22363310
1-ethyl-7-fluoronaphthalene
CID 166534047
2-[(2-bromoquinolin-3-yl)methyl]-5-(ethoxymethyl)isoquinolin-1-one
CID 11452977

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole?
The IUPAC name of 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole (CID 152686747) is 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole.
What is the SMILES notation for 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole?
The canonical SMILES for 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole is CCOCc1cn(Cc2cccc3ccccc23)c2ccc(F)cc12.
What is the InChIKey of 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole?
The InChIKey is ZOSMBQFVCODBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-2-25-15-18-14-24(22-11-10-19(23)12-21(18)22)13-17-8-5-7-16-6-3-4-9-20(16)17/h3-12,14H,2,13,15H2,1H3.
What are the key properties of 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole?
3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole has a molecular weight of 333.41 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-5-fluoro-1-(naphthalen-1-ylmethyl)indole is sourced from PubChem (CID 152686747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).