2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine

C20H22ClFN2O — CID 50995261

IUPAC2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine
SMILESCCCn1cc(CCN)c2c(OCc3ccc(Cl)cc3)c(F)ccc21
InChIInChI=1S/C20H22ClFN2O/c1-2-11-24-12-15(9-10-23)19-18(24)8-7-17(22)20(19)25-13-14-3-5-16(21)6-4-14/h3-8,12H,2,9-11,13,23H2,1H3
InChIKeyQFDVXZTVEISGAD-UHFFFAOYSA-N
MW360.86 g/mol
LogP4.92
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine

2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine (PubChem CID 50995261) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine
PubChem CID50995261
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine
SMILESCCCn1cc(CCN)c2c(OCc3ccc(Cl)cc3)c(F)ccc21
InChIInChI=1S/C20H22ClFN2O/c1-2-11-24-12-15(9-10-23)19-18(24)8-7-17(22)20(19)25-13-14-3-5-16(21)6-4-14/h3-8,12H,2,9-11,13,23H2,1H3
InChIKeyQFDVXZTVEISGAD-UHFFFAOYSA-N
XLogP4.92
TPSA40.18 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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine?
The IUPAC name of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine (CID 50995261) is 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine is CCCn1cc(CCN)c2c(OCc3ccc(Cl)cc3)c(F)ccc21.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine?
The InChIKey is QFDVXZTVEISGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-2-11-24-12-15(9-10-23)19-18(24)8-7-17(22)20(19)25-13-14-3-5-16(21)6-4-14/h3-8,12H,2,9-11,13,23H2,1H3.
What are the key properties of 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine?
2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine has a molecular weight of 360.86 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methoxy]-5-fluoro-1-propylindol-3-yl]ethanamine is sourced from PubChem (CID 50995261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).