2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine

C18H20ClN3O — CID 122096693

IUPAC2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2CC(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H20ClN3O/c1-23-15-8-6-13(7-9-15)21-18(20)22-14-10-12(11-14)16-4-2-3-5-17(16)19/h2-9,12,14H,10-11H2,1H3,(H3,20,21,22)
InChIKeyNNRBUBJGMIKIGB-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.02
Rot. Bonds4

About 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine

2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 122096693) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine
PubChem CID122096693
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/C2CC(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H20ClN3O/c1-23-15-8-6-13(7-9-15)21-18(20)22-14-10-12(11-14)16-4-2-3-5-17(16)19/h2-9,12,14H,10-11H2,1H3,(H3,20,21,22)
InChIKeyNNRBUBJGMIKIGB-UHFFFAOYSA-N
XLogP4.02
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.02
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

1-(3-chloro-4-methoxyphenyl)-2-[3-(2-fluorophenyl)cyclobutyl]guanidine
CID 120671586
1-(4-methoxyphenyl)-2-(2,2,3,3-tetramethylcyclopropyl)guanidine
CID 119145514
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120679887
2-cyclopropyl-1-(4-phenoxyphenyl)guanidine
CID 62380155
1-(4-methoxyphenyl)-2-spiro[2.2]pentan-2-ylguanidine
CID 122125973
1-N-(2-chlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142814
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111073410
2-(2-ethyl-2-propan-2-ylcyclopropyl)-1-(4-methoxyphenyl)guanidine
CID 122098457
1-(3-chloro-4-methoxyphenyl)-2-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]guanidine
CID 122097961
2-[2-(2-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821479
2-[3-(3-bromo-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine
CID 120666120
2-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 119164366

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine (CID 122096693) is 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine is COc1ccc(N/C(N)=N/C2CC(c3ccccc3Cl)C2)cc1.
What is the InChIKey of 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is NNRBUBJGMIKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-23-15-8-6-13(7-9-15)21-18(20)22-14-10-12(11-14)16-4-2-3-5-17(16)19/h2-9,12,14H,10-11H2,1H3,(H3,20,21,22).
What are the key properties of 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine?
2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 329.83 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)cyclobutyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 122096693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).