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

C15H19FN2 — CID 84632364

IUPAC5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
SMILESCc1c(CC2CCNC2)c2cc(F)ccc2n1C
InChIInChI=1S/C15H19FN2/c1-10-13(7-11-5-6-17-9-11)14-8-12(16)3-4-15(14)18(10)2/h3-4,8,11,17H,5-7,9H2,1-2H3
InChIKeyBPNIRCKVJSBVHF-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.78
Rot. Bonds2

About 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole

5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole (PubChem CID 84632364) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole.

Molecular Properties

Compound Name5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
PubChem CID84632364
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
SMILESCc1c(CC2CCNC2)c2cc(F)ccc2n1C
InChIInChI=1S/C15H19FN2/c1-10-13(7-11-5-6-17-9-11)14-8-12(16)3-4-15(14)18(10)2/h3-4,8,11,17H,5-7,9H2,1-2H3
InChIKeyBPNIRCKVJSBVHF-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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Related Compounds

6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
CID 138981272
N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
3-(1,4-diazepan-1-ylmethyl)-5-fluoro-1,2-dimethylindole
CID 98033914
3-[(5-fluoro-2-methylsulfanylphenyl)methyl]pyrrolidine
CID 84790383
6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
(3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901959
(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901758
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
4,6-difluoro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84634258
6-fluoro-2-methyl-1-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84796143

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
The IUPAC name of 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole (CID 84632364) is 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole.
What is the SMILES notation for 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
The canonical SMILES for 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole is Cc1c(CC2CCNC2)c2cc(F)ccc2n1C.
What is the InChIKey of 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
The InChIKey is BPNIRCKVJSBVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c1-10-13(7-11-5-6-17-9-11)14-8-12(16)3-4-15(14)18(10)2/h3-4,8,11,17H,5-7,9H2,1-2H3.
What are the key properties of 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole?
5-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 5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole is sourced from PubChem (CID 84632364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).