2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine

C15H25N3O — CID 111799956

IUPAC2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC(CO)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-12(2)8-9-17-15(16)18-10-14(11-19)13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H3,16,17,18)
InChIKeyHETBPRDAJZDVIC-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.71
Rot. Bonds7

About 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine

2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine (PubChem CID 111799956) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
PubChem CID111799956
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
SMILESCC(C)CCN/C(N)=N/CC(CO)c1ccccc1
InChIInChI=1S/C15H25N3O/c1-12(2)8-9-17-15(16)18-10-14(11-19)13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H3,16,17,18)
InChIKeyHETBPRDAJZDVIC-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 53
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

2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
CID 111799989
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methylbutyl)guanidine
CID 109409009
2-(3-hydroxy-2-phenylpropyl)-1-(6-methylheptan-2-yl)guanidine
CID 111799938
2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111799974
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111099775
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067385
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine?
The IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine (CID 111799956) is 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine?
The canonical SMILES for 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine is CC(C)CCN/C(N)=N/CC(CO)c1ccccc1.
What is the InChIKey of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine?
The InChIKey is HETBPRDAJZDVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)8-9-17-15(16)18-10-14(11-19)13-6-4-3-5-7-13/h3-7,12,14,19H,8-11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine?
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine has a molecular weight of 263.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine is sourced from PubChem (CID 111799956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).