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

C18H21IN4O — CID 111024578

IUPAC2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2c[nH]c3ccccc23)c1.I
InChIInChI=1S/C18H20N4O.HI/c1-23-15-6-4-5-14(11-15)22-18(19)20-10-9-13-12-21-17-8-3-2-7-16(13)17;/h2-8,11-12,21H,9-10H2,1H3,(H3,19,20,22);1H
InChIKeyGHJAQIGSTBNYKS-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.76
Rot. Bonds5

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

2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111024578) has the molecular formula C18H21IN4O and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
PubChem CID111024578
Molecular FormulaC18H21IN4O
Molecular Weight436.30 g/mol
Exact Mass436.08
IUPAC Name2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2c[nH]c3ccccc23)c1.I
InChIInChI=1S/C18H20N4O.HI/c1-23-15-6-4-5-14(11-15)22-18(19)20-10-9-13-12-21-17-8-3-2-7-16(13)17;/h2-8,11-12,21H,9-10H2,1H3,(H3,19,20,22);1H
InChIKeyGHJAQIGSTBNYKS-UHFFFAOYSA-N
XLogP3.76
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.76
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111092485
1-(3,4-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024605
2-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111024581
1-(4-ethylphenyl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 111024620
1-(3-ethylphenyl)-2-[3-(1H-indol-3-yl)propyl]guanidine
CID 111806426
2-[2-(6-methyl-1H-indol-3-yl)ethyl]-1-(3-methylphenyl)guanidine
CID 111092490
1-(3-ethylphenyl)-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111802087
1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111808947
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (CID 111024578) is 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/CCc2c[nH]c3ccccc23)c1.I.
What is the InChIKey of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is GHJAQIGSTBNYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.HI/c1-23-15-6-4-5-14(11-15)22-18(19)20-10-9-13-12-21-17-8-3-2-7-16(13)17;/h2-8,11-12,21H,9-10H2,1H3,(H3,19,20,22);1H.
What are the key properties of 2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 436.30 g/mol, XLogP of 3.76, 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-(3-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111024578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).