1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine

C18H20ClN3O — CID 120671482

IUPAC1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCOc1ccccc1C/N=C(\N)N[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-23-17-5-3-2-4-13(17)11-21-18(20)22-16-10-15(16)12-6-8-14(19)9-7-12/h2-9,15-16H,10-11H2,1H3,(H3,20,21,22)/t15-,16+/m0/s1
InChIKeyABSSDLVEFFILTL-JKSUJKDBSA-N
MW329.83 g/mol
LogP3.31
Rot. Bonds5

About 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine

1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine (PubChem CID 120671482) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
PubChem CID120671482
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCOc1ccccc1C/N=C(\N)N[C@@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-23-17-5-3-2-4-13(17)11-21-18(20)22-16-10-15(16)12-6-8-14(19)9-7-12/h2-9,15-16H,10-11H2,1H3,(H3,20,21,22)/t15-,16+/m0/s1
InChIKeyABSSDLVEFFILTL-JKSUJKDBSA-N
XLogP3.31
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.31
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'}

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Related Compounds

2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155
1-[3-(4-chlorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120663283
1-[3-(4-bromophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydrobromide
CID 154838813
1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120671597
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 120671462
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 111282805
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
2-(4-chlorophenyl)sulfanylethyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate
CID 8775000
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine (CID 120671482) is 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine is COc1ccccc1C/N=C(\N)N[C@@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine?
The InChIKey is ABSSDLVEFFILTL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-23-17-5-3-2-4-13(17)11-21-18(20)22-16-10-15(16)12-6-8-14(19)9-7-12/h2-9,15-16H,10-11H2,1H3,(H3,20,21,22)/t15-,16+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine?
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine has a molecular weight of 329.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-2-[(2-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 120671482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).