1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine

C16H23N3O — CID 122082396

IUPAC1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine
SMILESCCOc1cccc([C@@H]2C[C@H]2N/C(=N/C)NC2CC2)c1
InChIInChI=1S/C16H23N3O/c1-3-20-13-6-4-5-11(9-13)14-10-15(14)19-16(17-2)18-12-7-8-12/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3,(H2,17,18,19)/t14-,15+/m0/s1
InChIKeyUAOUEIRXRDSEHK-LSDHHAIUSA-N
MW273.38 g/mol
LogP2.27
Rot. Bonds5

About 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine

1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine (PubChem CID 122082396) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine
PubChem CID122082396
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine
SMILESCCOc1cccc([C@@H]2C[C@H]2N/C(=N/C)NC2CC2)c1
InChIInChI=1S/C16H23N3O/c1-3-20-13-6-4-5-11(9-13)14-10-15(14)19-16(17-2)18-12-7-8-12/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3,(H2,17,18,19)/t14-,15+/m0/s1
InChIKeyUAOUEIRXRDSEHK-LSDHHAIUSA-N
XLogP2.27
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine 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

4-ethoxy-N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]butanamide
CID 97258997
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255685
1-cyclohexyl-3-[(3-ethoxyphenyl)methyl]-2-methylguanidine
CID 110956920
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 109387207
1-cyclopropyl-3-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119135603
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 109387206
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979109
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979108
2-(3-ethoxyphenyl)cyclopropan-1-amine;hydrochloride
CID 71758190
N-[(1S,2R)-2-(3-ethoxyphenyl)cyclopropyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 97258923
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81032583
1-cyclopentyl-2-methyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine
CID 111771296

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine (CID 122082396) is 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine is CCOc1cccc([C@@H]2C[C@H]2N/C(=N/C)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine?
The InChIKey is UAOUEIRXRDSEHK-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-20-13-6-4-5-11(9-13)14-10-15(14)19-16(17-2)18-12-7-8-12/h4-6,9,12,14-15H,3,7-8,10H2,1-2H3,(H2,17,18,19)/t14-,15+/m0/s1.
What are the key properties of 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine?
1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine has a molecular weight of 273.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine is sourced from PubChem (CID 122082396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).