2-(2-methoxy-2-methylpropyl)-1-phenylguanidine

C12H19N3O — CID 111465545

IUPAC2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
SMILESCOC(C)(C)C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C12H19N3O/c1-12(2,16-3)9-14-11(13)15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,13,14,15)
InChIKeyMJGCIBOFPWBDPZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds4

About 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine

2-(2-methoxy-2-methylpropyl)-1-phenylguanidine (PubChem CID 111465545) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
PubChem CID111465545
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
SMILESCOC(C)(C)C/N=C(\N)Nc1ccccc1
InChIInChI=1S/C12H19N3O/c1-12(2,16-3)9-14-11(13)15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,13,14,15)
InChIKeyMJGCIBOFPWBDPZ-UHFFFAOYSA-N
XLogP1.84
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
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'}

Analyze 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine 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

1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111814690
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111814689
1-(3,4-dimethylphenyl)-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111814657
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944
2-(2-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598
2-[2-(methanesulfonamido)-2-methylpropyl]-1-phenylguanidine
CID 63859317
2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
CID 78963226
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
CID 111444563
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111062865
tert-butyl 3-[[amino(anilino)methylidene]amino]propanoate
CID 111464797
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine?
The IUPAC name of 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine (CID 111465545) is 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine is COC(C)(C)C/N=C(\N)Nc1ccccc1.
What is the InChIKey of 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine?
The InChIKey is MJGCIBOFPWBDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,16-3)9-14-11(13)15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine?
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine has a molecular weight of 221.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-methylpropyl)-1-phenylguanidine is sourced from PubChem (CID 111465545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).