2-[2-(4-phenylphenoxy)ethyl]guanidine

C15H17N3O — CID 95464158

IUPAC2-[2-(4-phenylphenoxy)ethyl]guanidine
SMILESNC(N)=NCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c16-15(17)18-10-11-19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H4,16,17,18)
InChIKeyQBSYXMMXFLYXCD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(4-phenylphenoxy)ethyl]guanidine

2-[2-(4-phenylphenoxy)ethyl]guanidine (PubChem CID 95464158) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[2-(4-phenylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(4-phenylphenoxy)ethyl]guanidine
PubChem CID95464158
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-[2-(4-phenylphenoxy)ethyl]guanidine
SMILESNC(N)=NCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H17N3O/c16-15(17)18-10-11-19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H4,16,17,18)
InChIKeyQBSYXMMXFLYXCD-UHFFFAOYSA-N
XLogP2.01
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-phenylphenoxy)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
CID 75419016
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
N'-hydroxy-5-(4-phenylphenoxy)pentanimidamide
CID 76905930
1-phenyl-4-[2-[2-[2-[2-[2-(4-phenylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 86003700
methyl N'-(2-phenoxyethyl)carbamimidothioate
CID 163795646
(2S)-3-[4-[2-(diaminomethylideneamino)ethoxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 59873427
2-(4-phenylphenoxy)ethyl acetate
CID 101023594
2-[2-(6-bromonaphthalen-2-yl)oxyethyl]guanidine
CID 110917511
(4-phenylphenoxy)methanol
CID 71028246
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylphenoxy)ethyl]guanidine?
The IUPAC name of 2-[2-(4-phenylphenoxy)ethyl]guanidine (CID 95464158) is 2-[2-(4-phenylphenoxy)ethyl]guanidine.
What is the SMILES notation for 2-[2-(4-phenylphenoxy)ethyl]guanidine?
The canonical SMILES for 2-[2-(4-phenylphenoxy)ethyl]guanidine is NC(N)=NCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenylphenoxy)ethyl]guanidine?
The InChIKey is QBSYXMMXFLYXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15(17)18-10-11-19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H4,16,17,18).
What are the key properties of 2-[2-(4-phenylphenoxy)ethyl]guanidine?
2-[2-(4-phenylphenoxy)ethyl]guanidine has a molecular weight of 255.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylphenoxy)ethyl]guanidine is sourced from PubChem (CID 95464158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).