2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine

C16H19N3O — CID 19089172

IUPAC2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine
SMILESCOc1ccc(-c2ccccc2/N=C(\N)N(C)C)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)16(17)18-15-7-5-4-6-14(15)12-8-10-13(20-3)11-9-12/h4-11H,1-3H3,(H2,17,18)
InChIKeyFJYHUMBJJZQMLJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.87
Rot. Bonds3

About 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine

2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine (PubChem CID 19089172) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine
PubChem CID19089172
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine
SMILESCOc1ccc(-c2ccccc2/N=C(\N)N(C)C)cc1
InChIInChI=1S/C16H19N3O/c1-19(2)16(17)18-15-7-5-4-6-14(15)12-8-10-13(20-3)11-9-12/h4-11H,1-3H3,(H2,17,18)
InChIKeyFJYHUMBJJZQMLJ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine (CID 19089172) is 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine is COc1ccc(-c2ccccc2/N=C(\N)N(C)C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine?
The InChIKey is FJYHUMBJJZQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)16(17)18-15-7-5-4-6-14(15)12-8-10-13(20-3)11-9-12/h4-11H,1-3H3,(H2,17,18).
What are the key properties of 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine?
2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine has a molecular weight of 269.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)phenyl]-1,1-dimethylguanidine is sourced from PubChem (CID 19089172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).