2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine

C20H22ClFN2O — CID 50994885

IUPAC2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(C)c2ccc(F)c(OCCc3ccc(Cl)cc3)c12
InChIInChI=1S/C20H22ClFN2O/c1-23-11-9-15-13-24(2)18-8-7-17(22)20(19(15)18)25-12-10-14-3-5-16(21)6-4-14/h3-8,13,23H,9-12H2,1-2H3
InChIKeyBWGVFUSVMTYQTB-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.35
Rot. Bonds7

About 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine

2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine (PubChem CID 50994885) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
PubChem CID50994885
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
SMILESCNCCc1cn(C)c2ccc(F)c(OCCc3ccc(Cl)cc3)c12
InChIInChI=1S/C20H22ClFN2O/c1-23-11-9-15-13-24(2)18-8-7-17(22)20(19(15)18)25-12-10-14-3-5-16(21)6-4-14/h3-8,13,23H,9-12H2,1-2H3
InChIKeyBWGVFUSVMTYQTB-UHFFFAOYSA-N
XLogP4.35
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine (CID 50994885) is 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine is CNCCc1cn(C)c2ccc(F)c(OCCc3ccc(Cl)cc3)c12.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
The InChIKey is BWGVFUSVMTYQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-23-11-9-15-13-24(2)18-8-7-17(22)20(19(15)18)25-12-10-14-3-5-16(21)6-4-14/h3-8,13,23H,9-12H2,1-2H3.
What are the key properties of 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine?
2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine has a molecular weight of 360.86 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)ethoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine is sourced from PubChem (CID 50994885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).