6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole

C15H19FN2 — CID 84632400

IUPAC6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
SMILESCc1c(CC2CCNC2)c2ccc(F)cc2n1C
InChIInChI=1S/C15H19FN2/c1-10-14(7-11-5-6-17-9-11)13-4-3-12(16)8-15(13)18(10)2/h3-4,8,11,17H,5-7,9H2,1-2H3
InChIKeyOBUSJTPKVVAMLE-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.78
Rot. Bonds2

About 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole

6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole (PubChem CID 84632400) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole.

Molecular Properties

Compound Name6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
PubChem CID84632400
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
SMILESCc1c(CC2CCNC2)c2ccc(F)cc2n1C
InChIInChI=1S/C15H19FN2/c1-10-14(7-11-5-6-17-9-11)13-4-3-12(16)8-15(13)18(10)2/h3-4,8,11,17H,5-7,9H2,1-2H3
InChIKeyOBUSJTPKVVAMLE-UHFFFAOYSA-N
XLogP2.78
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
The IUPAC name of 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole (CID 84632400) is 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole.
What is the SMILES notation for 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
The canonical SMILES for 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole is Cc1c(CC2CCNC2)c2ccc(F)cc2n1C.
What is the InChIKey of 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
The InChIKey is OBUSJTPKVVAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-14(7-11-5-6-17-9-11)13-4-3-12(16)8-15(13)18(10)2/h3-4,8,11,17H,5-7,9H2,1-2H3.
What are the key properties of 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole has a molecular weight of 246.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole is sourced from PubChem (CID 84632400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).