2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine

C20H23FN2O2 — CID 123176452

IUPAC2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine
SMILESCC(CN)c1cn(C)c2ccc(F)c(OCCOc3ccccc3)c12
InChIInChI=1S/C20H23FN2O2/c1-14(12-22)16-13-23(2)18-9-8-17(21)20(19(16)18)25-11-10-24-15-6-4-3-5-7-15/h3-9,13-14H,10-12,22H2,1-2H3
InChIKeyVMIPZKGYMNNMPN-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.84
Rot. Bonds7

About 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine

2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine (PubChem CID 123176452) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine
PubChem CID123176452
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine
SMILESCC(CN)c1cn(C)c2ccc(F)c(OCCOc3ccccc3)c12
InChIInChI=1S/C20H23FN2O2/c1-14(12-22)16-13-23(2)18-9-8-17(21)20(19(16)18)25-11-10-24-15-6-4-3-5-7-15/h3-9,13-14H,10-12,22H2,1-2H3
InChIKeyVMIPZKGYMNNMPN-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-fluoro-4-[2-(4-methoxyphenyl)ethoxy]-1-methylindol-3-yl]propan-1-amine
CID 123329712
2-(6-chloro-1-methylindol-3-yl)propan-1-amine
CID 82494528
ethane;5-fluoro-1-methyl-4-phenylmethoxy-3-propylindole
CID 123524906
1-(4-ethoxy-5-fluoro-1-methylindol-3-yl)-4-phenylbutan-2-one
CID 58303978
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
CID 82497727
2-(2-propan-2-ylphenyl)propan-1-amine
CID 82599641
2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
CID 117119694
2-(1,4,7-trimethylindol-3-yl)propan-1-amine
CID 82493196

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine (CID 123176452) is 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine is CC(CN)c1cn(C)c2ccc(F)c(OCCOc3ccccc3)c12.
What is the InChIKey of 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine?
The InChIKey is VMIPZKGYMNNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-14(12-22)16-13-23(2)18-9-8-17(21)20(19(16)18)25-11-10-24-15-6-4-3-5-7-15/h3-9,13-14H,10-12,22H2,1-2H3.
What are the key properties of 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine?
2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine has a molecular weight of 342.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-1-methyl-4-(2-phenoxyethoxy)indol-3-yl]propan-1-amine is sourced from PubChem (CID 123176452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).