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

C11H15N3O — CID 95274512

IUPAC2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine
SMILESCOc1ccc([C@@H]2C[C@@H]2N=C(N)N)cc1
InChIInChI=1S/C11H15N3O/c1-15-8-4-2-7(3-5-8)9-6-10(9)14-11(12)13/h2-5,9-10H,6H2,1H3,(H4,12,13,14)/t9-,10-/m0/s1
InChIKeySTARNZPMKZMYER-UWVGGRQHSA-N
MW205.26 g/mol
LogP0.82
Rot. Bonds3

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

2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine (PubChem CID 95274512) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine
PubChem CID95274512
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine
SMILESCOc1ccc([C@@H]2C[C@@H]2N=C(N)N)cc1
InChIInChI=1S/C11H15N3O/c1-15-8-4-2-7(3-5-8)9-6-10(9)14-11(12)13/h2-5,9-10H,6H2,1H3,(H4,12,13,14)/t9-,10-/m0/s1
InChIKeySTARNZPMKZMYER-UWVGGRQHSA-N
XLogP0.82
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.82
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-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
1-(2,5-dimethoxyphenyl)-2-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
CID 111818806
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543
(1S)-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanol
CID 92993338
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 120671424
dimethyl (1R,4S,5R,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 10616838
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
CID 102014475
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine?
The IUPAC name of 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine (CID 95274512) is 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine.
What is the SMILES notation for 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine?
The canonical SMILES for 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine is COc1ccc([C@@H]2C[C@@H]2N=C(N)N)cc1.
What is the InChIKey of 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine?
The InChIKey is STARNZPMKZMYER-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-8-4-2-7(3-5-8)9-6-10(9)14-11(12)13/h2-5,9-10H,6H2,1H3,(H4,12,13,14)/t9-,10-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine?
2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]guanidine is sourced from PubChem (CID 95274512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).