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

C19H25N3O2 — CID 111975479

IUPAC1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
SMILESCOc1ccc(CCCC/N=C(\N)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-23-17-11-9-15(10-12-17)6-3-4-13-21-19(20)22-16-7-5-8-18(14-16)24-2/h5,7-12,14H,3-4,6,13H2,1-2H3,(H3,20,21,22)
InChIKeyQOLUTNUDLIVVIC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.45
Rot. Bonds8

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

1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine (PubChem CID 111975479) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
PubChem CID111975479
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
SMILESCOc1ccc(CCCC/N=C(\N)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-23-17-11-9-15(10-12-17)6-3-4-13-21-19(20)22-16-7-5-8-18(14-16)24-2/h5,7-12,14H,3-4,6,13H2,1-2H3,(H3,20,21,22)
InChIKeyQOLUTNUDLIVVIC-UHFFFAOYSA-N
XLogP3.45
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
1-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)propyl]guanidine
CID 111099326
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3-methoxyphenyl)-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]guanidine;hydroiodide
CID 111036145
1-(3-methoxyphenyl)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]guanidine
CID 111037222
1-(3-methoxyphenyl)-2-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]guanidine;hydroiodide
CID 111037221
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111075928
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine (CID 111975479) is 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine is COc1ccc(CCCC/N=C(\N)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine?
The InChIKey is QOLUTNUDLIVVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-17-11-9-15(10-12-17)6-3-4-13-21-19(20)22-16-7-5-8-18(14-16)24-2/h5,7-12,14H,3-4,6,13H2,1-2H3,(H3,20,21,22).
What are the key properties of 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine?
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine is sourced from PubChem (CID 111975479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).