2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine

C14H21N3O — CID 111456517

IUPAC2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCOCC/N=C(\N)NC1CC1c1ccccc1C
InChIInChI=1S/C14H21N3O/c1-10-5-3-4-6-11(10)12-9-13(12)17-14(15)16-7-8-18-2/h3-6,12-13H,7-9H2,1-2H3,(H3,15,16,17)
InChIKeyOILLTTFOIZXLKB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds5

About 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine

2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine (PubChem CID 111456517) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine
PubChem CID111456517
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine
SMILESCOCC/N=C(\N)NC1CC1c1ccccc1C
InChIInChI=1S/C14H21N3O/c1-10-5-3-4-6-11(10)12-9-13(12)17-14(15)16-7-8-18-2/h3-6,12-13H,7-9H2,1-2H3,(H3,15,16,17)
InChIKeyOILLTTFOIZXLKB-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111818931
1-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2-(2-methoxyethyl)guanidine
CID 122082473
1-ethyl-2-[3-(2-methoxyethoxy)propyl]-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111776660
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111773586
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
N'-ethyl-N-[2-(2-methylphenyl)cyclopropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111770663
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111599164
1-cyclopropyl-2-[2-(2,6-dimethylphenoxy)ethyl]guanidine
CID 110917136
1-ethyl-3-[2-(2-fluorophenyl)cyclopropyl]-2-(3-methoxypropyl)guanidine
CID 110976217
1-[(1R,2S)-2-(2-bromophenyl)cyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120666001

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine?
The IUPAC name of 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine (CID 111456517) is 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine?
The canonical SMILES for 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine is COCC/N=C(\N)NC1CC1c1ccccc1C.
What is the InChIKey of 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine?
The InChIKey is OILLTTFOIZXLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-5-3-4-6-11(10)12-9-13(12)17-14(15)16-7-8-18-2/h3-6,12-13H,7-9H2,1-2H3,(H3,15,16,17).
What are the key properties of 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine?
2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine has a molecular weight of 247.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-[2-(2-methylphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111456517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).