1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine

C16H19N5O — CID 168601679

IUPAC1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine
SMILESCOc1cc(-c2ccccc2)c(C)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C16H19N5O/c1-10-8-13(20-16(19)21-15(17)18)14(22-2)9-12(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H6,17,18,19,20,21)
InChIKeyDBYFLIDPJQWOBZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.89
Rot. Bonds3

About 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine

1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine (PubChem CID 168601679) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine
PubChem CID168601679
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine
SMILESCOc1cc(-c2ccccc2)c(C)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C16H19N5O/c1-10-8-13(20-16(19)21-15(17)18)14(22-2)9-12(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H6,17,18,19,20,21)
InChIKeyDBYFLIDPJQWOBZ-UHFFFAOYSA-N
XLogP1.89
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.89
H-Bond Donors ≤ 53
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-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine (CID 168601679) is 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine is COc1cc(-c2ccccc2)c(C)cc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine?
The InChIKey is DBYFLIDPJQWOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10-8-13(20-16(19)21-15(17)18)14(22-2)9-12(10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine?
1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine has a molecular weight of 297.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-methoxy-5-methyl-4-phenylphenyl)guanidine is sourced from PubChem (CID 168601679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).