1,2,3-tris(4-methoxyphenyl)guanidine

C22H23N3O3 — CID 12737122

IUPAC1,2,3-tris(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N=C(Nc2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-26-19-10-4-16(5-11-19)23-22(24-17-6-12-20(27-2)13-7-17)25-18-8-14-21(28-3)15-9-18/h4-15H,1-3H3,(H2,23,24,25)
InChIKeyBEMSZYDWGYLQKA-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.92
Rot. Bonds6

About 1,2,3-tris(4-methoxyphenyl)guanidine

1,2,3-tris(4-methoxyphenyl)guanidine (PubChem CID 12737122) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1,2,3-tris(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1,2,3-tris(4-methoxyphenyl)guanidine
PubChem CID12737122
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1,2,3-tris(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N=C(Nc2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-26-19-10-4-16(5-11-19)23-22(24-17-6-12-20(27-2)13-7-17)25-18-8-14-21(28-3)15-9-18/h4-15H,1-3H3,(H2,23,24,25)
InChIKeyBEMSZYDWGYLQKA-UHFFFAOYSA-N
XLogP4.92
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
CID 10827
4-methoxy-N'-(4-methoxyphenyl)-N-phenylbenzenecarboximidamide;hydrochloride
CID 72949778
CID 12548943
CID 12548943
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
2-cyclohexyl-1,3-bis(4-methoxyphenyl)guanidine
CID 14746266
2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339871
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
N,4-dimethoxyaniline
CID 23340556
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
N-(3,4-dichlorophenyl)-2,2,2-trifluoro-N'-(4-methoxyphenyl)ethanimidamide
CID 10473868

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(4-methoxyphenyl)guanidine?
The IUPAC name of 1,2,3-tris(4-methoxyphenyl)guanidine (CID 12737122) is 1,2,3-tris(4-methoxyphenyl)guanidine.
What is the SMILES notation for 1,2,3-tris(4-methoxyphenyl)guanidine?
The canonical SMILES for 1,2,3-tris(4-methoxyphenyl)guanidine is COc1ccc(N=C(Nc2ccc(OC)cc2)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2,3-tris(4-methoxyphenyl)guanidine?
The InChIKey is BEMSZYDWGYLQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-26-19-10-4-16(5-11-19)23-22(24-17-6-12-20(27-2)13-7-17)25-18-8-14-21(28-3)15-9-18/h4-15H,1-3H3,(H2,23,24,25).
What are the key properties of 1,2,3-tris(4-methoxyphenyl)guanidine?
1,2,3-tris(4-methoxyphenyl)guanidine has a molecular weight of 377.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(4-methoxyphenyl)guanidine is sourced from PubChem (CID 12737122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).