2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine

C15H25N3O — CID 111816076

IUPAC2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCc1ccc(O)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)9-11-18-15(16)17-10-3-4-13-5-7-14(19)8-6-13/h5-8,12,19H,3-4,9-11H2,1-2H3,(H3,16,17,18)
InChIKeySVVKFYIGLNVWSV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.28
Rot. Bonds7

About 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine

2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine (PubChem CID 111816076) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine
PubChem CID111816076
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CCCc1ccc(O)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)9-11-18-15(16)17-10-3-4-13-5-7-14(19)8-6-13/h5-8,12,19H,3-4,9-11H2,1-2H3,(H3,16,17,18)
InChIKeySVVKFYIGLNVWSV-UHFFFAOYSA-N
XLogP2.28
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
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'}

Analyze 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-(dimethylamino)phenyl]propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067831
2-[3-(4-hydroxyphenyl)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111816057
1-hexyl-2-[3-(4-hydroxyphenyl)propyl]guanidine
CID 111816114
2-[3-(3-fluorophenyl)propyl]-1-(3-methylbutyl)guanidine
CID 111807126
2-(3-methylbutyl)-1-[2-(4-methylphenyl)ethyl]guanidine
CID 111814100
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-[3-(1,3-benzothiazol-2-yl)propyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111037783
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056
1-ethyl-2-[3-(4-propan-2-ylphenyl)propyl]guanidine;hydroiodide
CID 111549226
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
2-[3-(4-hydroxyphenyl)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111816054
1-(3-methylbutyl)-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111097844

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine (CID 111816076) is 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CCCc1ccc(O)cc1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine?
The InChIKey is SVVKFYIGLNVWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)9-11-18-15(16)17-10-3-4-13-5-7-14(19)8-6-13/h5-8,12,19H,3-4,9-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine?
2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111816076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).