3-[2-(6-fluoroindol-1-yl)ethoxy]aniline

C16H15FN2O — CID 43365850

IUPAC3-[2-(6-fluoroindol-1-yl)ethoxy]aniline
SMILESNc1cccc(OCCn2ccc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c17-13-5-4-12-6-7-19(16(12)10-13)8-9-20-15-3-1-2-14(18)11-15/h1-7,10-11H,8-9,18H2
InChIKeyWBKRIXWTQBUCGB-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.44
Rot. Bonds4

About 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline

3-[2-(6-fluoroindol-1-yl)ethoxy]aniline (PubChem CID 43365850) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(6-fluoroindol-1-yl)ethoxy]aniline
PubChem CID43365850
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name3-[2-(6-fluoroindol-1-yl)ethoxy]aniline
SMILESNc1cccc(OCCn2ccc3ccc(F)cc32)c1
InChIInChI=1S/C16H15FN2O/c17-13-5-4-12-6-7-19(16(12)10-13)8-9-20-15-3-1-2-14(18)11-15/h1-7,10-11H,8-9,18H2
InChIKeyWBKRIXWTQBUCGB-UHFFFAOYSA-N
XLogP3.44
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methylindol-1-yl)ethoxy]aniline
CID 43365841
2-[1-(2-phenoxyethyl)indol-6-yl]ethanamine
CID 102917753
3-(6-fluoroindol-1-yl)propanal
CID 63040201
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
methyl 1-[2-(4-fluorophenoxy)ethyl]indole-6-carboxylate
CID 5191010
1-[2-(6-fluoroindol-1-yl)ethyl]pyrazol-3-amine
CID 63316022
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
3-(2-indol-1-ylethoxy)benzoic acid
CID 43532512
4-chloro-3-[(6-fluoroindol-1-yl)methyl]aniline
CID 43169100
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline (CID 43365850) is 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline is Nc1cccc(OCCn2ccc3ccc(F)cc32)c1.
What is the InChIKey of 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline?
The InChIKey is WBKRIXWTQBUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-5-4-12-6-7-19(16(12)10-13)8-9-20-15-3-1-2-14(18)11-15/h1-7,10-11H,8-9,18H2.
What are the key properties of 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline?
3-[2-(6-fluoroindol-1-yl)ethoxy]aniline has a molecular weight of 270.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoroindol-1-yl)ethoxy]aniline is sourced from PubChem (CID 43365850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).