1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine

C15H25N3O — CID 111097623

IUPAC1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
SMILESCCCCN/C(N)=N/CC(C)c1ccccc1OC
InChIInChI=1S/C15H25N3O/c1-4-5-10-17-15(16)18-11-12(2)13-8-6-7-9-14(13)19-3/h6-9,12H,4-5,10-11H2,1-3H3,(H3,16,17,18)
InChIKeyUXMMTHCIEFPKEN-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.50
Rot. Bonds7

About 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine

1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine (PubChem CID 111097623) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
PubChem CID111097623
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine
SMILESCCCCN/C(N)=N/CC(C)c1ccccc1OC
InChIInChI=1S/C15H25N3O/c1-4-5-10-17-15(16)18-11-12(2)13-8-6-7-9-14(13)19-3/h6-9,12H,4-5,10-11H2,1-3H3,(H3,16,17,18)
InChIKeyUXMMTHCIEFPKEN-UHFFFAOYSA-N
XLogP2.50
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111820601
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
CID 111225492
2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111097644
1-(3,5-dimethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine
CID 111097631
1-butyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111808577
1-(3-ethoxypropyl)-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682363
1-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111097654
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 103646263
2-(2-anilino-3-methylbutyl)-1-butylguanidine
CID 111041023

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine?
The IUPAC name of 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine (CID 111097623) is 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine.
What is the SMILES notation for 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine?
The canonical SMILES for 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine is CCCCN/C(N)=N/CC(C)c1ccccc1OC.
What is the InChIKey of 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine?
The InChIKey is UXMMTHCIEFPKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-10-17-15(16)18-11-12(2)13-8-6-7-9-14(13)19-3/h6-9,12H,4-5,10-11H2,1-3H3,(H3,16,17,18).
What are the key properties of 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine?
1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-(2-methoxyphenyl)propyl]guanidine is sourced from PubChem (CID 111097623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).