1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine

C23H30N4O2 — CID 111974486

IUPAC1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCc1cccc(OCCOC)c1
InChIInChI=1S/C23H30N4O2/c1-17-7-8-21-19(16-26-22(21)13-17)9-10-25-23(24-2)27-15-18-5-4-6-20(14-18)29-12-11-28-3/h4-8,13-14,16,26H,9-12,15H2,1-3H3,(H2,24,25,27)
InChIKeyQIFFOFNAXVSXHD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.41
Rot. Bonds9

About 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine

1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine (PubChem CID 111974486) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
PubChem CID111974486
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
SMILESC/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCc1cccc(OCCOC)c1
InChIInChI=1S/C23H30N4O2/c1-17-7-8-21-19(16-26-22(21)13-17)9-10-25-23(24-2)27-15-18-5-4-6-20(14-18)29-12-11-28-3/h4-8,13-14,16,26H,9-12,15H2,1-3H3,(H2,24,25,27)
InChIKeyQIFFOFNAXVSXHD-UHFFFAOYSA-N
XLogP3.41
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974144
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111974265
1-[[4-(2-methoxyethylamino)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111973836
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377106
N-[2-(dimethylamino)ethyl]-3-[[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]methyl]benzamide
CID 111974062
N-ethyl-2-[3-[[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111887666
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111974115
methyl N-[4-[[[N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]carbamimidoyl]amino]methyl]phenyl]carbamate;hydroiodide
CID 111973921
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111973659
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111368247
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111974519
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 110995203

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The IUPAC name of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine (CID 111974486) is 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The canonical SMILES for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine is C/N=C(/NCCc1c[nH]c2cc(C)ccc12)NCc1cccc(OCCOC)c1.
What is the InChIKey of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
The InChIKey is QIFFOFNAXVSXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-7-8-21-19(16-26-22(21)13-17)9-10-25-23(24-2)27-15-18-5-4-6-20(14-18)29-12-11-28-3/h4-8,13-14,16,26H,9-12,15H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine?
1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine has a molecular weight of 394.52 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine is sourced from PubChem (CID 111974486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).