2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine

C14H17FN2 — CID 162389016

IUPAC2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CCC1n1ccc2cc(F)ccc21
InChIInChI=1S/C14H17FN2/c1-16(2)13-5-6-14(13)17-8-7-10-9-11(15)3-4-12(10)17/h3-4,7-9,13-14H,5-6H2,1-2H3
InChIKeyZBRMEJSXQPPNQQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.05
Rot. Bonds2

About 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine

2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine (PubChem CID 162389016) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine
PubChem CID162389016
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1CCC1n1ccc2cc(F)ccc21
InChIInChI=1S/C14H17FN2/c1-16(2)13-5-6-14(13)17-8-7-10-9-11(15)3-4-12(10)17/h3-4,7-9,13-14H,5-6H2,1-2H3
InChIKeyZBRMEJSXQPPNQQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-6-methylindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389288
2-(5-cyclobutyloxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162389186
2-(5-fluoro-6-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162388833
N,N-dimethyl-2-(4-methylindol-1-yl)cyclobutan-1-amine
CID 162388703
2-indol-1-yl-N,N-dimethylcyclopropan-1-amine
CID 166892100
CID 177160471
CID 177160471
2-(dimethylamino)-1-(5-fluoroindol-1-yl)propan-1-one
CID 162388704
5-fluoro-1-hydroxyindole
CID 13415513
2-(6,7-difluoroindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 162389155
1-(difluoromethyl)-5-fluoroindole
CID 63851656
2-(5-fluoroindol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 63850467
N-[2-(5-fluoroindol-1-yl)ethyl]cyclohexanamine
CID 55256214

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine (CID 162389016) is 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine is CN(C)C1CCC1n1ccc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
The InChIKey is ZBRMEJSXQPPNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-16(2)13-5-6-14(13)17-8-7-10-9-11(15)3-4-12(10)17/h3-4,7-9,13-14H,5-6H2,1-2H3.
What are the key properties of 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine?
2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine has a molecular weight of 232.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroindol-1-yl)-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 162389016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).