2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine

C18H19ClFN3O2 — CID 120671424

IUPAC2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C18H19ClFN3O2/c1-24-11-4-6-17(25-2)16(8-11)23-18(21)22-15-9-12(15)10-3-5-13(19)14(20)7-10/h3-8,12,15H,9H2,1-2H3,(H3,21,22,23)/t12-,15+/m0/s1
InChIKeyYSVWRQFBWZJFFP-SWLSCSKDSA-N
MW363.82 g/mol
LogP3.78
Rot. Bonds5

About 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine

2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine (PubChem CID 120671424) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
PubChem CID120671424
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C18H19ClFN3O2/c1-24-11-4-6-17(25-2)16(8-11)23-18(21)22-15-9-12(15)10-3-5-13(19)14(20)7-10/h3-8,12,15H,9H2,1-2H3,(H3,21,22,23)/t12-,15+/m0/s1
InChIKeyYSVWRQFBWZJFFP-SWLSCSKDSA-N
XLogP3.78
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine 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

2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 119148151
1-(2,5-dimethoxyphenyl)-2-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
CID 111818806
1-(3-chloro-4-methoxyphenyl)-2-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]guanidine
CID 122097961
2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111820031
1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine
CID 111815388
2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1,1-diethylguanidine
CID 122082498
2-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropyl]-1-[2-(methoxymethyl)phenyl]guanidine;hydroiodide
CID 120671359
2-[2-(4-chlorophenoxy)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111032340
2-[(2,5-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111801010
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 83058969
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120679887

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
The IUPAC name of 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine (CID 120671424) is 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine.
What is the SMILES notation for 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
The canonical SMILES for 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine is COc1ccc(OC)c(N/C(N)=N/[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
The InChIKey is YSVWRQFBWZJFFP-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-24-11-4-6-17(25-2)16(8-11)23-18(21)22-15-9-12(15)10-3-5-13(19)14(20)7-10/h3-8,12,15H,9H2,1-2H3,(H3,21,22,23)/t12-,15+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine has a molecular weight of 363.82 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine is sourced from PubChem (CID 120671424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).