1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine

C19H25N3O2 — CID 111788165

IUPAC1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine
SMILESC/N=C(/NCc1ccccc1OC)NCC(C)Oc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15(24-17-10-5-4-6-11-17)13-21-19(20-2)22-14-16-9-7-8-12-18(16)23-3/h4-12,15H,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyMHAHXZLFQPWPIW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.83
Rot. Bonds7

About 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine

1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine (PubChem CID 111788165) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine
PubChem CID111788165
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine
SMILESC/N=C(/NCc1ccccc1OC)NCC(C)Oc1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15(24-17-10-5-4-6-11-17)13-21-19(20-2)22-14-16-9-7-8-12-18(16)23-3/h4-12,15H,13-14H2,1-3H3,(H2,20,21,22)
InChIKeyMHAHXZLFQPWPIW-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.83
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-[2-(3-fluorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111503099
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(2-phenoxypropyl)guanidine;hydroiodide
CID 111788526
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111503100
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenoxy)propyl]-2-methylguanidine
CID 111677664
1-[2-(4-fluorophenoxy)propyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111678298
1-(2-ethylbutyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111778465
1-ethyl-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216372
1-(2-ethylbutyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111778464
1-[2-(4-fluorophenoxy)propyl]-2-methyl-3-[(2,3,4-trimethoxyphenyl)methyl]guanidine
CID 111678452
1-(2-methoxy-2-phenylethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111216168
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216033
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine (CID 111788165) is 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine is C/N=C(/NCc1ccccc1OC)NCC(C)Oc1ccccc1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine?
The InChIKey is MHAHXZLFQPWPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(24-17-10-5-4-6-11-17)13-21-19(20-2)22-14-16-9-7-8-12-18(16)23-3/h4-12,15H,13-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine?
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine has a molecular weight of 327.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-methyl-3-(2-phenoxypropyl)guanidine is sourced from PubChem (CID 111788165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).