N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine

C13H17FN2 — CID 82494098

IUPACN-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
SMILESCCNCCc1cn(C)c2c(F)cccc12
InChIInChI=1S/C13H17FN2/c1-3-15-8-7-10-9-16(2)13-11(10)5-4-6-12(13)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyWZRSFEPIQCEJOE-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine

N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine (PubChem CID 82494098) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
PubChem CID82494098
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC NameN-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine
SMILESCCNCCc1cn(C)c2c(F)cccc12
InChIInChI=1S/C13H17FN2/c1-3-15-8-7-10-9-16(2)13-11(10)5-4-6-12(13)14/h4-6,9,15H,3,7-8H2,1-2H3
InChIKeyWZRSFEPIQCEJOE-UHFFFAOYSA-N
XLogP2.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine (CID 82494098) is N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine is CCNCCc1cn(C)c2c(F)cccc12.
What is the InChIKey of N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine?
The InChIKey is WZRSFEPIQCEJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-3-15-8-7-10-9-16(2)13-11(10)5-4-6-12(13)14/h4-6,9,15H,3,7-8H2,1-2H3.
What are the key properties of N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine?
N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine has a molecular weight of 220.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-fluoro-1-methylindol-3-yl)ethanamine is sourced from PubChem (CID 82494098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).