2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine

C12H15FN2 — CID 11492162

IUPAC2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H15FN2/c1-15(2)7-6-9-8-14-11-5-3-4-10(13)12(9)11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyISJZKVWGUWBUFG-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine

2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 11492162) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID11492162
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H15FN2/c1-15(2)7-6-9-8-14-11-5-3-4-10(13)12(9)11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyISJZKVWGUWBUFG-UHFFFAOYSA-N
XLogP2.41
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine (CID 11492162) is 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2cccc(F)c12.
What is the InChIKey of 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is ISJZKVWGUWBUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-15(2)7-6-9-8-14-11-5-3-4-10(13)12(9)11/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 206.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 11492162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).