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

C24H27N3O — CID 10809379

IUPAC2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine
SMILESCCCCc1ccc(/N=C(\N)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-2-3-7-19-10-12-21(13-11-19)26-24(25)27-22-14-16-23(17-15-22)28-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H3,25,26,27)
InChIKeyMFXMTABKUMGGPF-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.67
Rot. Bonds8

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

2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine (PubChem CID 10809379) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine
PubChem CID10809379
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine
SMILESCCCCc1ccc(/N=C(\N)Nc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O/c1-2-3-7-19-10-12-21(13-11-19)26-24(25)27-22-14-16-23(17-15-22)28-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H3,25,26,27)
InChIKeyMFXMTABKUMGGPF-UHFFFAOYSA-N
XLogP5.67
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.67
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-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
The IUPAC name of 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine (CID 10809379) is 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine is CCCCc1ccc(/N=C(\N)Nc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
The InChIKey is MFXMTABKUMGGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-3-7-19-10-12-21(13-11-19)26-24(25)27-22-14-16-23(17-15-22)28-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H3,25,26,27).
What are the key properties of 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine?
2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine has a molecular weight of 373.50 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-1-(4-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 10809379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).