1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine

C12H19N3O — CID 62364211

IUPAC1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
SMILESCCN/C(N)=N/CCOc1cccc(C)c1
InChIInChI=1S/C12H19N3O/c1-3-14-12(13)15-7-8-16-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H3,13,14,15)
InChIKeyRAUKAMQKHKWKPT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.30
Rot. Bonds5

About 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine

1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine (PubChem CID 62364211) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
PubChem CID62364211
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine
SMILESCCN/C(N)=N/CCOc1cccc(C)c1
InChIInChI=1S/C12H19N3O/c1-3-14-12(13)15-7-8-16-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H3,13,14,15)
InChIKeyRAUKAMQKHKWKPT-UHFFFAOYSA-N
XLogP1.30
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.30
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'}

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Related Compounds

1-amino-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 64869053
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
2-(3-ethoxypropyl)-1-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031992
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 111031972
1-ethyl-2-[2-(3-methylphenoxy)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925801
1,1-diethyl-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 75534622
1-(2-methoxyphenyl)-2-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111031973
N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101623
1-[2-(3-methylphenoxy)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111031993
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110975280
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[2-[[ethylamino-[2-(3-methylphenoxy)ethylamino]methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111366809

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine (CID 62364211) is 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine is CCN/C(N)=N/CCOc1cccc(C)c1.
What is the InChIKey of 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
The InChIKey is RAUKAMQKHKWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-14-12(13)15-7-8-16-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine?
1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine has a molecular weight of 221.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methylphenoxy)ethyl]guanidine is sourced from PubChem (CID 62364211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).