2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine

C16H19N3O2 — CID 100667411

IUPAC2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
SMILESCOc1cccc(OCC/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C16H19N3O2/c1-20-14-8-5-9-15(12-14)21-11-10-18-16(17)19-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,17,18,19)
InChIKeyLBQQFQCGHLJORD-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds6

About 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine

2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine (PubChem CID 100667411) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
PubChem CID100667411
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
SMILESCOc1cccc(OCC/N=C(\N)Nc2ccccc2)c1
InChIInChI=1S/C16H19N3O2/c1-20-14-8-5-9-15(12-14)21-11-10-18-16(17)19-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,17,18,19)
InChIKeyLBQQFQCGHLJORD-UHFFFAOYSA-N
XLogP2.50
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
N-[3-[2-[[amino-(4-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101624
2-[2-(4-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032367
1-(3-ethylphenyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111816945
1-(3-methoxyphenyl)-2-(2-phenylmethoxyethyl)guanidine
CID 111600655
1-(3-methoxyphenyl)-2-[2-(2-propan-2-ylphenoxy)ethyl]guanidine
CID 111811244
2-[2-(2-tert-butylphenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111807687
1-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111816943
2-[2-(2,4-difluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111752173
N-[3-[2-[[amino-(2-methoxyanilino)methylidene]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111101620
N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101623

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine (CID 100667411) is 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine is COc1cccc(OCC/N=C(\N)Nc2ccccc2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine?
The InChIKey is LBQQFQCGHLJORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-14-8-5-9-15(12-14)21-11-10-18-16(17)19-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,17,18,19).
What are the key properties of 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine?
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine has a molecular weight of 285.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine is sourced from PubChem (CID 100667411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).