7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole

C16H21FN2 — CID 117182319

IUPAC7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCC(C)n1cc(CN2CCCC2)c2cccc(F)c21
InChIInChI=1S/C16H21FN2/c1-12(2)19-11-13(10-18-8-3-4-9-18)14-6-5-7-15(17)16(14)19/h5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyVIQNLHGKNLBZMB-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.96
Rot. Bonds3

About 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole

7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole (PubChem CID 117182319) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
PubChem CID117182319
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
SMILESCC(C)n1cc(CN2CCCC2)c2cccc(F)c21
InChIInChI=1S/C16H21FN2/c1-12(2)19-11-13(10-18-8-3-4-9-18)14-6-5-7-15(17)16(14)19/h5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyVIQNLHGKNLBZMB-UHFFFAOYSA-N
XLogP3.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-dimethyl-3-(pyrrolidin-1-ylmethyl)indole
CID 117186191
6-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185718
5-methyl-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole
CID 117185169
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2,3-difluorophenyl)methyl]-4-propan-2-ylpiperazine
CID 170657560
1-[(7-fluoro-1-benzofuran-3-yl)methyl]azepane
CID 117180993
[1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indol-5-yl]methanamine
CID 117175354
3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
CID 117181792
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
6-fluoro-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 117178351
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
CID 68619301
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole (CID 117182319) is 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole is CC(C)n1cc(CN2CCCC2)c2cccc(F)c21.
What is the InChIKey of 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is VIQNLHGKNLBZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-12(2)19-11-13(10-18-8-3-4-9-18)14-6-5-7-15(17)16(14)19/h5-7,11-12H,3-4,8-10H2,1-2H3.
What are the key properties of 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole?
7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 260.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 117182319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).