2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine

C13H17FN4O — CID 71510842

IUPAC2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
SMILESNC(N)=NCCc1c[nH]c2ccc(OCCF)cc12
InChIInChI=1S/C13H17FN4O/c14-4-6-19-10-1-2-12-11(7-10)9(8-18-12)3-5-17-13(15)16/h1-2,7-8,18H,3-6H2,(H4,15,16,17)
InChIKeyAAAXNOHXWZEFJJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine

2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine (PubChem CID 71510842) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
PubChem CID71510842
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine
SMILESNC(N)=NCCc1c[nH]c2ccc(OCCF)cc12
InChIInChI=1S/C13H17FN4O/c14-4-6-19-10-1-2-12-11(7-10)9(8-18-12)3-5-17-13(15)16/h1-2,7-8,18H,3-6H2,(H4,15,16,17)
InChIKeyAAAXNOHXWZEFJJ-UHFFFAOYSA-N
XLogP1.33
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482
5-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]pentan-1-amine
CID 15341730
5-[5-(2-fluoroethoxy)-1H-indol-3-yl]pentan-2-imine
CID 159935629
(2S)-2-amino-3-[5-(2-fluoroethoxy)-1H-indol-3-yl]propanoic acid
CID 91265595
2-(5-octoxy-1H-indol-3-yl)ethanamine
CID 10613373
2-(5-pentoxy-1H-indol-3-yl)ethanamine
CID 10848041
2-[5-(6-ethoxyhexoxy)-1H-indol-3-yl]ethanamine
CID 15342178
2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 134604088
2-[5-(3,7-dimethyloctoxy)-1H-indol-3-yl]ethanamine;hydrochloride
CID 134155855
bis[3-(2-aminoethyl)-1H-indol-5-yl] hexanedioate
CID 57477029
5-[5-(2-bromoethoxy)-1H-indol-3-yl]pentan-2-one
CID 148521037

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine?
The IUPAC name of 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine (CID 71510842) is 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine.
What is the SMILES notation for 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine?
The canonical SMILES for 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine is NC(N)=NCCc1c[nH]c2ccc(OCCF)cc12.
What is the InChIKey of 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine?
The InChIKey is AAAXNOHXWZEFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c14-4-6-19-10-1-2-12-11(7-10)9(8-18-12)3-5-17-13(15)16/h1-2,7-8,18H,3-6H2,(H4,15,16,17).
What are the key properties of 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine?
2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine has a molecular weight of 264.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethyl]guanidine is sourced from PubChem (CID 71510842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).