1,2-bis(3-methoxyphenyl)guanidine

C15H17N3O2 — CID 10016031

IUPAC1,2-bis(3-methoxyphenyl)guanidine
SMILESCOc1cccc(/N=C(\N)Nc2cccc(OC)c2)c1
InChIInChI=1S/C15H17N3O2/c1-19-13-7-3-5-11(9-13)17-15(16)18-12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H3,16,17,18)
InChIKeyHNJBHSJXCZZKKY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds4

About 1,2-bis(3-methoxyphenyl)guanidine

1,2-bis(3-methoxyphenyl)guanidine (PubChem CID 10016031) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1,2-bis(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-methoxyphenyl)guanidine
PubChem CID10016031
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1,2-bis(3-methoxyphenyl)guanidine
SMILESCOc1cccc(/N=C(\N)Nc2cccc(OC)c2)c1
InChIInChI=1S/C15H17N3O2/c1-19-13-7-3-5-11(9-13)17-15(16)18-12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H3,16,17,18)
InChIKeyHNJBHSJXCZZKKY-UHFFFAOYSA-N
XLogP2.76
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methoxyphenyl)guanidine?
The IUPAC name of 1,2-bis(3-methoxyphenyl)guanidine (CID 10016031) is 1,2-bis(3-methoxyphenyl)guanidine.
What is the SMILES notation for 1,2-bis(3-methoxyphenyl)guanidine?
The canonical SMILES for 1,2-bis(3-methoxyphenyl)guanidine is COc1cccc(/N=C(\N)Nc2cccc(OC)c2)c1.
What is the InChIKey of 1,2-bis(3-methoxyphenyl)guanidine?
The InChIKey is HNJBHSJXCZZKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-13-7-3-5-11(9-13)17-15(16)18-12-6-4-8-14(10-12)20-2/h3-10H,1-2H3,(H3,16,17,18).
What are the key properties of 1,2-bis(3-methoxyphenyl)guanidine?
1,2-bis(3-methoxyphenyl)guanidine has a molecular weight of 271.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methoxyphenyl)guanidine is sourced from PubChem (CID 10016031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).