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

C19H20ClFN2O — CID 10641353

IUPAC3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN2O/c1-22(2)10-3-11-24-19-13-23(16-7-5-15(21)6-8-16)18-9-4-14(20)12-17(18)19/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyDDABWSQTMGPQAB-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.75
Rot. Bonds6

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

3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 10641353) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID10641353
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClFN2O/c1-22(2)10-3-11-24-19-13-23(16-7-5-15(21)6-8-16)18-9-4-14(20)12-17(18)19/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyDDABWSQTMGPQAB-UHFFFAOYSA-N
XLogP4.75
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 10641353) is 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is DDABWSQTMGPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-22(2)10-3-11-24-19-13-23(16-7-5-15(21)6-8-16)18-9-4-14(20)12-17(18)19/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine?
3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 346.83 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10641353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).