2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine

C24H27N3O — CID 10619364

IUPAC2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine
SMILESCC(C)(C)c1ccc(/N=C(\N)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-24(2,3)19-9-11-20(12-10-19)26-23(25)27-21-13-15-22(16-14-21)28-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H3,25,26,27)
InChIKeyQGEFSNVVXMZQNJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.62
Rot. Bonds5

About 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine

2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine (PubChem CID 10619364) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine
PubChem CID10619364
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine
SMILESCC(C)(C)c1ccc(/N=C(\N)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-24(2,3)19-9-11-20(12-10-19)26-23(25)27-21-13-15-22(16-14-21)28-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H3,25,26,27)
InChIKeyQGEFSNVVXMZQNJ-UHFFFAOYSA-N
XLogP5.62
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
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-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine (CID 10619364) is 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine is CC(C)(C)c1ccc(/N=C(\N)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
The InChIKey is QGEFSNVVXMZQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-24(2,3)19-9-11-20(12-10-19)26-23(25)27-21-13-15-22(16-14-21)28-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H3,25,26,27).
What are the key properties of 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine has a molecular weight of 373.50 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 10619364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).