1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine

C21H21N3O2 — CID 111063266

IUPAC1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-25-18-13-9-17(10-14-18)24-21(22)23-15-16-7-11-20(12-8-16)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H3,22,23,24)
InChIKeyPIIKZQHZEXBAPF-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.41
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine

1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine (PubChem CID 111063266) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
PubChem CID111063266
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-25-18-13-9-17(10-14-18)24-21(22)23-15-16-7-11-20(12-8-16)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H3,22,23,24)
InChIKeyPIIKZQHZEXBAPF-UHFFFAOYSA-N
XLogP4.41
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.41
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'}

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Related Compounds

2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
methyl N-[4-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]carbamate
CID 111599050
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111808571
methyl 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024008

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine (CID 111063266) is 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine?
The InChIKey is PIIKZQHZEXBAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-25-18-13-9-17(10-14-18)24-21(22)23-15-16-7-11-20(12-8-16)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H3,22,23,24).
What are the key properties of 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine has a molecular weight of 347.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111063266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).