2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine

C13H21N3O — CID 62378566

IUPAC2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-12(14)15-11-8-6-5-7-10(11)9-17-4/h5-8H,9H2,1-4H3,(H3,14,15,16)
InChIKeyCLNURZRWSJOALV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds3

About 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine

2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine (PubChem CID 62378566) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
PubChem CID62378566
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine
SMILESCOCc1ccccc1N/C(N)=N/C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-12(14)15-11-8-6-5-7-10(11)9-17-4/h5-8H,9H2,1-4H3,(H3,14,15,16)
InChIKeyCLNURZRWSJOALV-UHFFFAOYSA-N
XLogP2.36
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-(2-chloroprop-2-enyl)-1-[2-(methoxymethyl)phenyl]guanidine
CID 119163681
1-[2-(methoxymethyl)phenyl]-2-(2,2,3,3-tetramethylcyclopropyl)guanidine;hydroiodide
CID 119163664
1-[2-(methoxymethyl)phenyl]-2-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119163631
1-[2-(methoxymethyl)phenyl]-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119163637
tert-butyl N-[4-[[amino-[2-(methoxymethyl)anilino]methylidene]amino]butyl]carbamate;hydroiodide
CID 110027020
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453
1-[2-(methoxymethyl)phenyl]-2-(3-methyl-3-phenylcyclobutyl)guanidine;hydroiodide
CID 119163674
2-[(2,6-dimethylpyrimidin-4-yl)methyl]-1-[2-(methoxymethyl)phenyl]guanidine
CID 120913688
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
2-amino-2-cyclopropyl-N-[2-(methoxymethyl)phenyl]propanamide
CID 54924986

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine?
The IUPAC name of 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine (CID 62378566) is 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine.
What is the SMILES notation for 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine?
The canonical SMILES for 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine is COCc1ccccc1N/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine?
The InChIKey is CLNURZRWSJOALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)16-12(14)15-11-8-6-5-7-10(11)9-17-4/h5-8H,9H2,1-4H3,(H3,14,15,16).
What are the key properties of 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine?
2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine has a molecular weight of 235.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[2-(methoxymethyl)phenyl]guanidine is sourced from PubChem (CID 62378566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).