2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine

C11H13FN2 — CID 67230623

IUPAC2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
SMILESCNCCC1=CN=C2C1=CC(=CC2)F
InChIInChI=1S/C11H13FN2/c1-13-5-4-8-7-14-11-3-2-9(12)6-10(8)11/h2,6-7,13H,3-5H2,1H3
InChIKeyYQWSPLBFCRGIQW-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.50
Rot. Bonds3

About 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine

2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine (PubChem CID 67230623) has the molecular formula C11H13FN2 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
PubChem CID67230623
Molecular FormulaC11H13FN2
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine
SMILESCNCCC1=CN=C2C1=CC(=CC2)F
InChIInChI=1S/C11H13FN2/c1-13-5-4-8-7-14-11-3-2-9(12)6-10(8)11/h2,6-7,13H,3-5H2,1H3
InChIKeyYQWSPLBFCRGIQW-UHFFFAOYSA-N
XLogP0.50
TPSA24.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity361

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-Dihydrotryptamine
CID 67008205
N-(cyclopropylmethyl)-2-(4-fluoro-7H-indol-3-yl)ethanamine
CID 67230442
N-(cyclopropylmethyl)-2-(6-fluoro-7H-indol-3-yl)ethanamine
CID 67230602
N-(cyclopropylmethyl)-2-(7-fluoro-7H-indol-3-yl)ethanamine
CID 67230934
2-(6-fluoro-7H-indol-3-yl)ethanamine
CID 67231232
N-(cyclopropylmethyl)-2-(5-fluoro-7H-indol-3-yl)ethanamine
CID 67231965
2-(5,6-difluoro-7H-indol-3-yl)ethanamine
CID 67232623
2-(4-fluoro-7H-indol-3-yl)ethanamine
CID 67232916
N'-[2-(5-fluoro-7H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 68606008
N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 68609050
4-(5-fluoro-7H-indol-3-yl)butan-1-amine
CID 68758269
2-(5-fluoro-7H-indol-3-yl)ethanamine
CID 68761812

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine (CID 67230623) is 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine is CNCCC1=CN=C2C1=CC(=CC2)F.
What is the InChIKey of 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
The InChIKey is YQWSPLBFCRGIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-13-5-4-8-7-14-11-3-2-9(12)6-10(8)11/h2,6-7,13H,3-5H2,1H3.
What are the key properties of 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine?
2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine has a molecular weight of 192.23 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-7H-indol-3-yl)-N-methylethanamine is sourced from PubChem (CID 67230623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).