1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine

C20H22ClFN2O — CID 19065948

IUPAC1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H22ClFN2O/c1-20(2,23(3)4)13-25-19-12-24(16-8-6-15(22)7-9-16)18-10-5-14(21)11-17(18)19/h5-12H,13H2,1-4H3
InChIKeyGUUFFQZULHYLLA-UHFFFAOYSA-N
MW360.86 g/mol
LogP5.14
Rot. Bonds5

About 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine

1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine (PubChem CID 19065948) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine
PubChem CID19065948
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H22ClFN2O/c1-20(2,23(3)4)13-25-19-12-24(16-8-6-15(22)7-9-16)18-10-5-14(21)11-17(18)19/h5-12H,13H2,1-4H3
InChIKeyGUUFFQZULHYLLA-UHFFFAOYSA-N
XLogP5.14
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.86
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine (CID 19065948) is 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine?
The InChIKey is GUUFFQZULHYLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c1-20(2,23(3)4)13-25-19-12-24(16-8-6-15(22)7-9-16)18-10-5-14(21)11-17(18)19/h5-12H,13H2,1-4H3.
What are the key properties of 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine?
1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine has a molecular weight of 360.86 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 19065948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).