1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

C19H23IN4O — CID 111808947

IUPAC1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCc2c[nH]c3c(C)cccc23)cc1.I
InChIInChI=1S/C19H22N4O.HI/c1-13-4-3-5-17-14(12-22-18(13)17)10-11-21-19(20)23-15-6-8-16(24-2)9-7-15;/h3-9,12,22H,10-11H2,1-2H3,(H3,20,21,23);1H
InChIKeyOWKIDANHMDNRSR-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.07
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide

1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (PubChem CID 111808947) has the molecular formula C19H23IN4O and a molecular weight of 450.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
PubChem CID111808947
Molecular FormulaC19H23IN4O
Molecular Weight450.32 g/mol
Exact Mass450.09
IUPAC Name1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/CCc2c[nH]c3c(C)cccc23)cc1.I
InChIInChI=1S/C19H22N4O.HI/c1-13-4-3-5-17-14(12-22-18(13)17)10-11-21-19(20)23-15-6-8-16(24-2)9-7-15;/h3-9,12,22H,10-11H2,1-2H3,(H3,20,21,23);1H
InChIKeyOWKIDANHMDNRSR-UHFFFAOYSA-N
XLogP4.07
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.07
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-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111464833
2-[2-(1H-indol-3-yl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111024578
2-[2-(2-fluorophenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111031471
1-(3-methoxyphenyl)-2-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111092485
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
1-(4-methoxyphenyl)-2-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111080336
1-(3,4-dimethoxyphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100846
1-(4-methoxyphenyl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031398
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
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
1-(3,4-dimethylphenyl)-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111100822

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide (CID 111808947) is 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is COc1ccc(N/C(N)=N/CCc2c[nH]c3c(C)cccc23)cc1.I.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
The InChIKey is OWKIDANHMDNRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.HI/c1-13-4-3-5-17-14(12-22-18(13)17)10-11-21-19(20)23-15-6-8-16(24-2)9-7-15;/h3-9,12,22H,10-11H2,1-2H3,(H3,20,21,23);1H.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide?
1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide has a molecular weight of 450.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111808947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).