1,2-bis(3-phenylmethoxyphenyl)guanidine

C27H25N3O2 — CID 22675624

IUPAC1,2-bis(3-phenylmethoxyphenyl)guanidine
SMILESN/C(=N\c1cccc(OCc2ccccc2)c1)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C27H25N3O2/c28-27(29-23-13-7-15-25(17-23)31-19-21-9-3-1-4-10-21)30-24-14-8-16-26(18-24)32-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H3,28,29,30)
InChIKeyDVEKLDWKSHFNHV-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.90
Rot. Bonds8

About 1,2-bis(3-phenylmethoxyphenyl)guanidine

1,2-bis(3-phenylmethoxyphenyl)guanidine (PubChem CID 22675624) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1,2-bis(3-phenylmethoxyphenyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-phenylmethoxyphenyl)guanidine
PubChem CID22675624
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name1,2-bis(3-phenylmethoxyphenyl)guanidine
SMILESN/C(=N\c1cccc(OCc2ccccc2)c1)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C27H25N3O2/c28-27(29-23-13-7-15-25(17-23)31-19-21-9-3-1-4-10-21)30-24-14-8-16-26(18-24)32-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H3,28,29,30)
InChIKeyDVEKLDWKSHFNHV-UHFFFAOYSA-N
XLogP5.90
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.90
H-Bond Donors ≤ 52
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

2-(4-methylpyrimidin-2-yl)-1-(3-phenylmethoxyphenyl)guanidine
CID 58638844
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
1-(3-methoxyphenyl)-2-[[3-(phenoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111075946
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-benzyl-3-phenylmethoxyaniline
CID 54801332
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
(3-phenylmethoxyphenyl)sulfamic acid
CID 10193116
4-[(3-acetamidophenoxy)methyl]benzoic acid
CID 28829525
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-phenylmethoxyphenyl)guanidine?
The IUPAC name of 1,2-bis(3-phenylmethoxyphenyl)guanidine (CID 22675624) is 1,2-bis(3-phenylmethoxyphenyl)guanidine.
What is the SMILES notation for 1,2-bis(3-phenylmethoxyphenyl)guanidine?
The canonical SMILES for 1,2-bis(3-phenylmethoxyphenyl)guanidine is N/C(=N\c1cccc(OCc2ccccc2)c1)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1,2-bis(3-phenylmethoxyphenyl)guanidine?
The InChIKey is DVEKLDWKSHFNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c28-27(29-23-13-7-15-25(17-23)31-19-21-9-3-1-4-10-21)30-24-14-8-16-26(18-24)32-20-22-11-5-2-6-12-22/h1-18H,19-20H2,(H3,28,29,30).
What are the key properties of 1,2-bis(3-phenylmethoxyphenyl)guanidine?
1,2-bis(3-phenylmethoxyphenyl)guanidine has a molecular weight of 423.52 g/mol, XLogP of 5.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-phenylmethoxyphenyl)guanidine is sourced from PubChem (CID 22675624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).