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

C17H17FN2 — CID 67231281

IUPACN-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
SMILESFC1=CCC2=NC=C(CCNCc3ccccc3)C2=C1
InChIInChI=1S/C17H17FN2/c18-15-6-7-17-16(10-15)14(12-20-17)8-9-19-11-13-4-2-1-3-5-13/h1-6,10,12,19H,7-9,11H2
InChIKeyGWLIADIZARWOKV-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.69
Rot. Bonds5

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

N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine (PubChem CID 67231281) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
PubChem CID67231281
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC NameN-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine
SMILESFC1=CCC2=NC=C(CCNCc3ccccc3)C2=C1
InChIInChI=1S/C17H17FN2/c18-15-6-7-17-16(10-15)14(12-20-17)8-9-19-11-13-4-2-1-3-5-13/h1-6,10,12,19H,7-9,11H2
InChIKeyGWLIADIZARWOKV-UHFFFAOYSA-N
XLogP3.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.69
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-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The IUPAC name of N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine (CID 67231281) is N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine is FC1=CCC2=NC=C(CCNCc3ccccc3)C2=C1.
What is the InChIKey of N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
The InChIKey is GWLIADIZARWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c18-15-6-7-17-16(10-15)14(12-20-17)8-9-19-11-13-4-2-1-3-5-13/h1-6,10,12,19H,7-9,11H2.
What are the key properties of N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine?
N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine has a molecular weight of 268.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-fluoro-7H-indol-3-yl)ethanamine is sourced from PubChem (CID 67231281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).