1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine

C22H28N4O2 — CID 111501791

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)NCC(C)Oc1cccc(OC)c1
InChIInChI=1S/C22H28N4O2/c1-16(28-19-8-6-7-18(13-19)27-3)14-26-22(23-2)24-12-11-17-15-25-21-10-5-4-9-20(17)21/h4-10,13,15-16,25H,11-12,14H2,1-3H3,(H2,23,24,26)
InChIKeyTUKOIHZWAUUGOH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds8

About 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine

1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111501791) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111501791
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)NCC(C)Oc1cccc(OC)c1
InChIInChI=1S/C22H28N4O2/c1-16(28-19-8-6-7-18(13-19)27-3)14-26-22(23-2)24-12-11-17-15-25-21-10-5-4-9-20(17)21/h4-10,13,15-16,25H,11-12,14H2,1-3H3,(H2,23,24,26)
InChIKeyTUKOIHZWAUUGOH-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
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'}

Analyze 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 110996667
1-[2-(3-methoxyphenoxy)propyl]-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111678891
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404389
1-[2-(3-methoxyphenoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111494985
propan-2-yl 3-[[N-[2-(1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 110996447
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 75535407
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111678961
1-[2-(2-methoxyethoxy)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111679931
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(1H-indol-3-yl)ethyl]-1,2-dimethylguanidine
CID 111296353
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine
CID 110997135
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine (CID 111501791) is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(/NCCc1c[nH]c2ccccc12)NCC(C)Oc1cccc(OC)c1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is TUKOIHZWAUUGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16(28-19-8-6-7-18(13-19)27-3)14-26-22(23-2)24-12-11-17-15-25-21-10-5-4-9-20(17)21/h4-10,13,15-16,25H,11-12,14H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine?
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 380.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111501791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).