2-(4-fluoro-7H-indol-3-yl)ethanamine

C10H11FN2 — CID 67232916

IUPAC2-(4-fluoro-7H-indol-3-yl)ethanamine
SMILESNCCC1=CN=C2CC=CC(F)=C12
InChIInChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-2,6H,3-5,12H2
InChIKeyCPNVMYIICLLSPK-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.86
Rot. Bonds2

About 2-(4-fluoro-7H-indol-3-yl)ethanamine

2-(4-fluoro-7H-indol-3-yl)ethanamine (PubChem CID 67232916) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-(4-fluoro-7H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-7H-indol-3-yl)ethanamine
PubChem CID67232916
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name2-(4-fluoro-7H-indol-3-yl)ethanamine
SMILESNCCC1=CN=C2CC=CC(F)=C12
InChIInChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-2,6H,3-5,12H2
InChIKeyCPNVMYIICLLSPK-UHFFFAOYSA-N
XLogP1.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-7H-indol-3-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-7H-indol-3-yl)ethanamine (CID 67232916) is 2-(4-fluoro-7H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-7H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-7H-indol-3-yl)ethanamine is NCCC1=CN=C2CC=CC(F)=C12.
What is the InChIKey of 2-(4-fluoro-7H-indol-3-yl)ethanamine?
The InChIKey is CPNVMYIICLLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-2,6H,3-5,12H2.
What are the key properties of 2-(4-fluoro-7H-indol-3-yl)ethanamine?
2-(4-fluoro-7H-indol-3-yl)ethanamine has a molecular weight of 178.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-7H-indol-3-yl)ethanamine is sourced from PubChem (CID 67232916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).