3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine

C15H21FN2O — CID 55087844

IUPAC3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCn1ccc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O/c1-2-19-11-3-7-17-8-10-18-9-6-13-4-5-14(16)12-15(13)18/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3
InChIKeyMAPIKEMSQRWXPH-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.80
Rot. Bonds8

About 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine

3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine (PubChem CID 55087844) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine
PubChem CID55087844
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCn1ccc2ccc(F)cc21
InChIInChI=1S/C15H21FN2O/c1-2-19-11-3-7-17-8-10-18-9-6-13-4-5-14(16)12-15(13)18/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3
InChIKeyMAPIKEMSQRWXPH-UHFFFAOYSA-N
XLogP2.80
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine (CID 55087844) is 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine is CCOCCCNCCn1ccc2ccc(F)cc21.
What is the InChIKey of 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine?
The InChIKey is MAPIKEMSQRWXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-19-11-3-7-17-8-10-18-9-6-13-4-5-14(16)12-15(13)18/h4-6,9,12,17H,2-3,7-8,10-11H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine has a molecular weight of 264.34 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(6-fluoroindol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 55087844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).