5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine

C15H19FN2O — CID 159935629

IUPAC5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine
SMILES[H]/N=C(\C)CCCc1c[nH]c2ccc(OCCF)cc12
InChIInChI=1S/C15H19FN2O/c1-11(17)3-2-4-12-10-18-15-6-5-13(9-14(12)15)19-8-7-16/h5-6,9-10,17-18H,2-4,7-8H2,1H3/b17-11+
InChIKeyPSVZIDKCFZLPSH-GZTJUZNOSA-N
MW262.33 g/mol
LogP3.88
Rot. Bonds7

About 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine

5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine (PubChem CID 159935629) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine.

Molecular Properties

Compound Name5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine
PubChem CID159935629
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine
SMILES[H]/N=C(\C)CCCc1c[nH]c2ccc(OCCF)cc12
InChIInChI=1S/C15H19FN2O/c1-11(17)3-2-4-12-10-18-15-6-5-13(9-14(12)15)19-8-7-16/h5-6,9-10,17-18H,2-4,7-8H2,1H3/b17-11+
InChIKeyPSVZIDKCFZLPSH-GZTJUZNOSA-N
XLogP3.88
TPSA48.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine?
The IUPAC name of 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine (CID 159935629) is 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine.
What is the SMILES notation for 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine?
The canonical SMILES for 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine is [H]/N=C(\C)CCCc1c[nH]c2ccc(OCCF)cc12.
What is the InChIKey of 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine?
The InChIKey is PSVZIDKCFZLPSH-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11(17)3-2-4-12-10-18-15-6-5-13(9-14(12)15)19-8-7-16/h5-6,9-10,17-18H,2-4,7-8H2,1H3/b17-11+.
What are the key properties of 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine?
5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine has a molecular weight of 262.33 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine is sourced from PubChem (CID 159935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).