1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine

C16H19N3O — CID 67872185

IUPAC1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)c1cc(OC)ccc1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-18-16(17)19(2)15-11-13(20-3)9-10-14(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,17,18)
InChIKeyBAAZSUOOUJCUEI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine

1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine (PubChem CID 67872185) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine
PubChem CID67872185
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)c1cc(OC)ccc1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-18-16(17)19(2)15-11-13(20-3)9-10-14(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,17,18)
InChIKeyBAAZSUOOUJCUEI-UHFFFAOYSA-N
XLogP2.74
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine?
The IUPAC name of 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine (CID 67872185) is 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)c1cc(OC)ccc1-c1ccccc1.
What is the InChIKey of 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine?
The InChIKey is BAAZSUOOUJCUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18-16(17)19(2)15-11-13(20-3)9-10-14(15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,17,18).
What are the key properties of 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine?
1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine has a molecular weight of 269.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenylphenyl)-1,2-dimethylguanidine is sourced from PubChem (CID 67872185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).