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

C18H20N4O — CID 111024581

IUPAC2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N4O/c1-23-17-9-5-4-8-16(17)22-18(19)20-11-10-13-12-21-15-7-3-2-6-14(13)15/h2-9,12,21H,10-11H2,1H3,(H3,19,20,22)
InChIKeySNMAUKAMBVVHJX-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.15
Rot. Bonds5

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

2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine (PubChem CID 111024581) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
PubChem CID111024581
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
SMILESCOc1ccccc1N/C(N)=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C18H20N4O/c1-23-17-9-5-4-8-16(17)22-18(19)20-11-10-13-12-21-15-7-3-2-6-14(13)15/h2-9,12,21H,10-11H2,1H3,(H3,19,20,22)
InChIKeySNMAUKAMBVVHJX-UHFFFAOYSA-N
XLogP3.15
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.15
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'}

Analyze 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine 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

2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
1-(2,5-dimethoxyphenyl)-2-[2-(6-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111044812
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
4-bromo-N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methoxyphenyl)carbamimidoyl]benzamide
CID 46282820
2-[2-(1H-indol-3-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720624
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
3-chloro-N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methoxyphenyl)carbamimidoyl]benzamide
CID 46282742
2-[2-(2,4-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111801626
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methoxyphenyl)propanediamide
CID 108949616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine (CID 111024581) is 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine is COc1ccccc1N/C(N)=N/CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
The InChIKey is SNMAUKAMBVVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-17-9-5-4-8-16(17)22-18(19)20-11-10-13-12-21-15-7-3-2-6-14(13)15/h2-9,12,21H,10-11H2,1H3,(H3,19,20,22).
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine?
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine has a molecular weight of 308.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine is sourced from PubChem (CID 111024581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).