5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole

C14H17FN2 — CID 117176614

IUPAC5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
SMILESCn1c(CN2CCCC2)cc2cc(F)ccc21
InChIInChI=1S/C14H17FN2/c1-16-13(10-17-6-2-3-7-17)9-11-8-12(15)4-5-14(11)16/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyAGQLULBVJSUUDC-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.91
Rot. Bonds2

About 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole

5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117176614) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
PubChem CID117176614
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole
SMILESCn1c(CN2CCCC2)cc2cc(F)ccc21
InChIInChI=1S/C14H17FN2/c1-16-13(10-17-6-2-3-7-17)9-11-8-12(15)4-5-14(11)16/h4-5,8-9H,2-3,6-7,10H2,1H3
InChIKeyAGQLULBVJSUUDC-UHFFFAOYSA-N
XLogP2.91
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1-methyl-2-(piperazin-1-ylmethyl)indole
CID 117176642
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
2-(azepan-1-ylmethyl)-1-methylindole-5-carboxylic acid
CID 117176936
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
5-fluoro-2-[[4-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]-1-methylindole
CID 77088430
5-fluoro-1-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864165
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
5-fluoro-1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]indole-2-carboxamide
CID 131950386
1-methyl-2-(morpholin-4-ylmethyl)indol-5-amine
CID 117176639
[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117176518

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole (CID 117176614) is 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole is Cn1c(CN2CCCC2)cc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is AGQLULBVJSUUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-16-13(10-17-6-2-3-7-17)9-11-8-12(15)4-5-14(11)16/h4-5,8-9H,2-3,6-7,10H2,1H3.
What are the key properties of 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole?
5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 232.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117176614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).