1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine

C33H29N3O2 — CID 22675851

IUPAC1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine
SMILESN/C(=N\c1ccc(OCc2ccccc2)cc1)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H29N3O2/c34-33(35-28-16-20-31(21-17-28)37-24-26-10-4-1-5-11-26)36(29-14-8-3-9-15-29)30-18-22-32(23-19-30)38-25-27-12-6-2-7-13-27/h1-23H,24-25H2,(H2,34,35)
InChIKeyCWJSDMWAMWQHNY-UHFFFAOYSA-N
MW499.61 g/mol
LogP7.63
Rot. Bonds9

About 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine

1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine (PubChem CID 22675851) has the molecular formula C33H29N3O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine
PubChem CID22675851
Molecular FormulaC33H29N3O2
Molecular Weight499.61 g/mol
Exact Mass499.23
IUPAC Name1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine
SMILESN/C(=N\c1ccc(OCc2ccccc2)cc1)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H29N3O2/c34-33(35-28-16-20-31(21-17-28)37-24-26-10-4-1-5-11-26)36(29-14-8-3-9-15-29)30-18-22-32(23-19-30)38-25-27-12-6-2-7-13-27/h1-23H,24-25H2,(H2,34,35)
InChIKeyCWJSDMWAMWQHNY-UHFFFAOYSA-N
XLogP7.63
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyano-2-(4-phenylmethoxyphenyl)guanidine
CID 142011249
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
methyl-(4-phenylmethoxyphenyl)diazene
CID 123516249
N'-(4-phenylmethoxyphenyl)-2H-benzo[cd]indole-1-carboximidamide
CID 23503725
4-phenylmethoxyaniline
CID 159966727
2-(4-phenylmethoxyphenyl)ethanethioamide
CID 24702892
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
CID 23965821
[phenyl-(4-phenylmethoxyphenyl)carbamoyl] pyrrolidine-1-carboxylate
CID 90928866
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine?
The IUPAC name of 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine (CID 22675851) is 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine is N/C(=N\c1ccc(OCc2ccccc2)cc1)N(c1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine?
The InChIKey is CWJSDMWAMWQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O2/c34-33(35-28-16-20-31(21-17-28)37-24-26-10-4-1-5-11-26)36(29-14-8-3-9-15-29)30-18-22-32(23-19-30)38-25-27-12-6-2-7-13-27/h1-23H,24-25H2,(H2,34,35).
What are the key properties of 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine?
1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine has a molecular weight of 499.61 g/mol, XLogP of 7.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2-bis(4-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 22675851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).