1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide

C19H26IN3O2 — CID 111818407

IUPAC1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
SMILESCOc1ccc(C(C)CC/N=C(\N)Nc2ccccc2OC)cc1.I
InChIInChI=1S/C19H25N3O2.HI/c1-14(15-8-10-16(23-2)11-9-15)12-13-21-19(20)22-17-6-4-5-7-18(17)24-3;/h4-11,14H,12-13H2,1-3H3,(H3,20,21,22);1H
InChIKeyJIEPLFJWDFZENQ-UHFFFAOYSA-N
MW455.34 g/mol
LogP4.24
Rot. Bonds7

About 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide

1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide (PubChem CID 111818407) has the molecular formula C19H26IN3O2 and a molecular weight of 455.34 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
PubChem CID111818407
Molecular FormulaC19H26IN3O2
Molecular Weight455.34 g/mol
Exact Mass455.11
IUPAC Name1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
SMILESCOc1ccc(C(C)CC/N=C(\N)Nc2ccccc2OC)cc1.I
InChIInChI=1S/C19H25N3O2.HI/c1-14(15-8-10-16(23-2)11-9-15)12-13-21-19(20)22-17-6-4-5-7-18(17)24-3;/h4-11,14H,12-13H2,1-3H3,(H3,20,21,22);1H
InChIKeyJIEPLFJWDFZENQ-UHFFFAOYSA-N
XLogP4.24
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111024071
2-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036195
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(2-methoxyphenyl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033043
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide
CID 111818385
2-[3-[di(propan-2-yl)amino]propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111821758
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
1-(2-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072146
2-[3-(4-methoxyphenyl)butyl]-1-prop-2-enylguanidine
CID 136683160
1-(2-methoxyphenyl)-2-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063389
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
2-[2-(3,5-difluorophenyl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111090275

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide?
The IUPAC name of 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide (CID 111818407) is 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide is COc1ccc(C(C)CC/N=C(\N)Nc2ccccc2OC)cc1.I.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide?
The InChIKey is JIEPLFJWDFZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.HI/c1-14(15-8-10-16(23-2)11-9-15)12-13-21-19(20)22-17-6-4-5-7-18(17)24-3;/h4-11,14H,12-13H2,1-3H3,(H3,20,21,22);1H.
What are the key properties of 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide?
1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide has a molecular weight of 455.34 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)butyl]guanidine;hydroiodide is sourced from PubChem (CID 111818407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).