1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine

C20H25N3O2 — CID 109394192

IUPAC1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(Oc2ccc(OC)cc2)cc1)NC1CC1
InChIInChI=1S/C20H25N3O2/c1-21-20(23-16-5-6-16)22-14-13-15-3-7-18(8-4-15)25-19-11-9-17(24-2)10-12-19/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyWNVLISSFNVSPID-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.36
Rot. Bonds7

About 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine

1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine (PubChem CID 109394192) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine
PubChem CID109394192
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(Oc2ccc(OC)cc2)cc1)NC1CC1
InChIInChI=1S/C20H25N3O2/c1-21-20(23-16-5-6-16)22-14-13-15-3-7-18(8-4-15)25-19-11-9-17(24-2)10-12-19/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H2,21,22,23)
InChIKeyWNVLISSFNVSPID-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.36
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'}

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Related Compounds

1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
1-cyclopropyl-3-[4-(4-methoxyphenyl)butyl]-2-methylguanidine;hydroiodide
CID 111975099
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111142081
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 110933653
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256292
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propylguanidine
CID 111170675
1-[2-(4-methoxyphenyl)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110913986
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923842
1-(1,1-dioxothiolan-3-yl)-3-[3-(4-methoxyphenyl)propyl]-2-methylguanidine
CID 111142075

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine (CID 109394192) is 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine is C/N=C(\NCCc1ccc(Oc2ccc(OC)cc2)cc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine?
The InChIKey is WNVLISSFNVSPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-20(23-16-5-6-16)22-14-13-15-3-7-18(8-4-15)25-19-11-9-17(24-2)10-12-19/h3-4,7-12,16H,5-6,13-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine?
1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine has a molecular weight of 339.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine is sourced from PubChem (CID 109394192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).