1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine

C19H21FN4O2 — CID 111044812

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H21FN4O2/c1-25-14-4-6-18(26-2)17(10-14)24-19(21)22-8-7-12-11-23-16-9-13(20)3-5-15(12)16/h3-6,9-11,23H,7-8H2,1-2H3,(H3,21,22,24)
InChIKeyRUEYTUDIUYVILL-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.29
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111044812) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
PubChem CID111044812
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/CCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C19H21FN4O2/c1-25-14-4-6-18(26-2)17(10-14)24-19(21)22-8-7-12-11-23-16-9-13(20)3-5-15(12)16/h3-6,9-11,23H,7-8H2,1-2H3,(H3,21,22,24)
InChIKeyRUEYTUDIUYVILL-UHFFFAOYSA-N
XLogP3.29
TPSA84.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-(2,5-diethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111044831
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
2-[(2,5-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111801010
1-(3-methoxyphenyl)-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111092485
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
1-(2,5-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111097100
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
1-(2,5-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfanylpropyl]guanidine;hydroiodide
CID 111027875
1-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058072
1-(2,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]guanidine
CID 111032776
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine (CID 111044812) is 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine is COc1ccc(OC)c(N/C(N)=N/CCc2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is RUEYTUDIUYVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-25-14-4-6-18(26-2)17(10-14)24-19(21)22-8-7-12-11-23-16-9-13(20)3-5-15(12)16/h3-6,9-11,23H,7-8H2,1-2H3,(H3,21,22,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 356.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111044812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).