4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine

C22H24F2N2O2 — CID 170870926

IUPAC4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
SMILESCn1c(Oc2ccc(F)cc2F)c(CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H24F2N2O2/c1-25-20-7-3-2-5-17(20)18(6-4-10-26-11-13-27-14-12-26)22(25)28-21-9-8-16(23)15-19(21)24/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyBMOVTWXSAJPNTG-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.51
Rot. Bonds6

About 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine

4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine (PubChem CID 170870926) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
PubChem CID170870926
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
SMILESCn1c(Oc2ccc(F)cc2F)c(CCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H24F2N2O2/c1-25-20-7-3-2-5-17(20)18(6-4-10-26-11-13-27-14-12-26)22(25)28-21-9-8-16(23)15-19(21)24/h2-3,5,7-9,15H,4,6,10-14H2,1H3
InChIKeyBMOVTWXSAJPNTG-UHFFFAOYSA-N
XLogP4.51
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
CID 170871680
4-[3-(2-fluoro-6-phenoxyphenyl)propyl]morpholine
CID 170869692
1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864366
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868356
4-[3-(1-ethyl-2-methylindol-3-yl)propyl]morpholine
CID 170870957
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[3-(6-fluoro-1-methylindol-3-yl)propyl]morpholine
CID 170871004
(E)-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]prop-2-enoic acid
CID 170872297
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(1-methylindol-4-yl)propyl]morpholine
CID 170870710

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine (CID 170870926) is 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine is Cn1c(Oc2ccc(F)cc2F)c(CCCN2CCOCC2)c2ccccc21.
What is the InChIKey of 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine?
The InChIKey is BMOVTWXSAJPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-25-20-7-3-2-5-17(20)18(6-4-10-26-11-13-27-14-12-26)22(25)28-21-9-8-16(23)15-19(21)24/h2-3,5,7-9,15H,4,6,10-14H2,1H3.
What are the key properties of 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine?
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine has a molecular weight of 386.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine is sourced from PubChem (CID 170870926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).