1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine

C14H21N3O — CID 110917136

IUPAC1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
SMILESCc1cccc(C)c1OCC/N=C(\N)NC1CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)13(10)18-9-8-16-14(15)17-12-6-7-12/h3-5,12H,6-9H2,1-2H3,(H3,15,16,17)
InChIKeyTVZJFMJBMXZNMN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.75
Rot. Bonds5

About 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine

1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine (PubChem CID 110917136) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
PubChem CID110917136
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
SMILESCc1cccc(C)c1OCC/N=C(\N)NC1CC1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)13(10)18-9-8-16-14(15)17-12-6-7-12/h3-5,12H,6-9H2,1-2H3,(H3,15,16,17)
InChIKeyTVZJFMJBMXZNMN-UHFFFAOYSA-N
XLogP1.75
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.75
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-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
2-[2-(2,6-dimethylphenoxy)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190342
2-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropylguanidine;hydroiodide
CID 111110200
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
1-(3,4-dimethoxyphenyl)-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine;hydroiodide
CID 111071295
ethyl 4-[[N'-(2-phenoxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111028449
1-cyclopropyl-2-[2-(4-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111100831
2-[2-(4-chlorophenoxy)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119117520

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine (CID 110917136) is 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine is Cc1cccc(C)c1OCC/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine?
The InChIKey is TVZJFMJBMXZNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-11(2)13(10)18-9-8-16-14(15)17-12-6-7-12/h3-5,12H,6-9H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine?
1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine has a molecular weight of 247.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine is sourced from PubChem (CID 110917136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).