2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine

C19H25N3O — CID 111043614

IUPAC2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCOC(C/N=C(\N)Nc1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14(2)16-10-7-11-17(12-16)22-19(20)21-13-18(23-3)15-8-5-4-6-9-15/h4-12,14,18H,13H2,1-3H3,(H3,20,21,22)
InChIKeyHBMFVZXQXDSHAJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.92
Rot. Bonds6

About 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine

2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine (PubChem CID 111043614) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine.

Molecular Properties

Compound Name2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
PubChem CID111043614
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine
SMILESCOC(C/N=C(\N)Nc1cccc(C(C)C)c1)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14(2)16-10-7-11-17(12-16)22-19(20)21-13-18(23-3)15-8-5-4-6-9-15/h4-12,14,18H,13H2,1-3H3,(H3,20,21,22)
InChIKeyHBMFVZXQXDSHAJ-UHFFFAOYSA-N
XLogP3.92
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.92
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-phenylethyl)-1-(3-propan-2-ylphenyl)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-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
1-(3,4-dimethoxyphenyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043601
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
2-(2-methoxy-2-phenylethyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 111043587
2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111803089
2-(5-methoxypentyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111087608
2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111099907
methyl 3-[[amino-(3-propan-2-ylanilino)methylidene]amino]propanoate
CID 111063925
2-(2-ethylsulfonylethyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111100417
2-[2-(2-methoxyethoxy)ethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111069303
2-[3-(2-hydroxyethoxy)propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 110018620
1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine?
The IUPAC name of 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine (CID 111043614) is 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine.
What is the SMILES notation for 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine?
The canonical SMILES for 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine is COC(C/N=C(\N)Nc1cccc(C(C)C)c1)c1ccccc1.
What is the InChIKey of 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine?
The InChIKey is HBMFVZXQXDSHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)16-10-7-11-17(12-16)22-19(20)21-13-18(23-3)15-8-5-4-6-9-15/h4-12,14,18H,13H2,1-3H3,(H3,20,21,22).
What are the key properties of 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine?
2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine has a molecular weight of 311.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-phenylethyl)-1-(3-propan-2-ylphenyl)guanidine is sourced from PubChem (CID 111043614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).