1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine

C13H21N3O — CID 63189528

IUPAC1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/C(CO)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-12(14)15-11(9-17)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3,(H3,14,15,16)
InChIKeyYKDWEFXJWWVNHP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds3

About 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine

1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine (PubChem CID 63189528) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
PubChem CID63189528
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/C(CO)c1ccccc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-12(14)15-11(9-17)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3,(H3,14,15,16)
InChIKeyYKDWEFXJWWVNHP-UHFFFAOYSA-N
XLogP1.42
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
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

1-tert-butyl-2-(1-phenylpropan-2-yl)guanidine
CID 63012485
1-tert-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030287
1-tert-butyl-2-[1-(3-chlorophenyl)ethyl]guanidine
CID 62363103
1-tert-butyl-2-(2,3-diphenylpropyl)guanidine
CID 111799912
2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine
CID 10825467
1-tert-butyl-2-[(2S)-1-hydroxy-3-methylbutan-2-yl]guanidine
CID 79249185
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
1-tert-butyl-2-[3-(1-phenylethoxy)propyl]guanidine
CID 111035718
1-tert-butyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111029760
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
1-(2-hydroxy-1-phenylethyl)-2-methylguanidine
CID 63189659
(2S)-2-amino-2-phenylethanol;methanol
CID 160824062

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine (CID 63189528) is 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine is CC(C)(C)N/C(N)=N/C(CO)c1ccccc1.
What is the InChIKey of 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine?
The InChIKey is YKDWEFXJWWVNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)16-12(14)15-11(9-17)10-7-5-4-6-8-10/h4-8,11,17H,9H2,1-3H3,(H3,14,15,16).
What are the key properties of 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine?
1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine has a molecular weight of 235.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-hydroxy-1-phenylethyl)guanidine is sourced from PubChem (CID 63189528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).