2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine

C10H13N3O — CID 89470377

IUPAC2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine
SMILESC=N/C(N)=N\c1ccc(OC)cc1C
InChIInChI=1S/C10H13N3O/c1-7-6-8(14-3)4-5-9(7)13-10(11)12-2/h4-6H,2H2,1,3H3,(H2,11,13)
InChIKeyDSHFQMBAHFJEHQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.65
Rot. Bonds2

About 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine

2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine (PubChem CID 89470377) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine.

Molecular Properties

Compound Name2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine
PubChem CID89470377
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine
SMILESC=N/C(N)=N\c1ccc(OC)cc1C
InChIInChI=1S/C10H13N3O/c1-7-6-8(14-3)4-5-9(7)13-10(11)12-2/h4-6H,2H2,1,3H3,(H2,11,13)
InChIKeyDSHFQMBAHFJEHQ-UHFFFAOYSA-N
XLogP1.65
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.65
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 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine?
The IUPAC name of 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine (CID 89470377) is 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine.
What is the SMILES notation for 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine?
The canonical SMILES for 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine is C=N/C(N)=N\c1ccc(OC)cc1C.
What is the InChIKey of 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine?
The InChIKey is DSHFQMBAHFJEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-6-8(14-3)4-5-9(7)13-10(11)12-2/h4-6H,2H2,1,3H3,(H2,11,13).
What are the key properties of 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine?
2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine has a molecular weight of 191.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methylphenyl)-1-methylideneguanidine is sourced from PubChem (CID 89470377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).