5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole

C22H25FN2O — CID 16659555

IUPAC5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
SMILESCc1cc2cc(F)ccc2n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C22H25FN2O/c1-17-15-18-16-19(23)5-10-22(18)25(17)20-6-8-21(9-7-20)26-14-4-13-24-11-2-3-12-24/h5-10,15-16H,2-4,11-14H2,1H3
InChIKeyNZFDTOPIWDNSSC-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.94
Rot. Bonds6

About 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole

5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole (PubChem CID 16659555) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
PubChem CID16659555
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole
SMILESCc1cc2cc(F)ccc2n1-c1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C22H25FN2O/c1-17-15-18-16-19(23)5-10-22(18)25(17)20-6-8-21(9-7-20)26-14-4-13-24-11-2-3-12-24/h5-10,15-16H,2-4,11-14H2,1H3
InChIKeyNZFDTOPIWDNSSC-UHFFFAOYSA-N
XLogP4.94
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.94
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 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The IUPAC name of 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole (CID 16659555) is 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole.
What is the SMILES notation for 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The canonical SMILES for 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole is Cc1cc2cc(F)ccc2n1-c1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
The InChIKey is NZFDTOPIWDNSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-17-15-18-16-19(23)5-10-22(18)25(17)20-6-8-21(9-7-20)26-14-4-13-24-11-2-3-12-24/h5-10,15-16H,2-4,11-14H2,1H3.
What are the key properties of 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole?
5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole has a molecular weight of 352.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]indole is sourced from PubChem (CID 16659555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).