1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine

C15H25N3O2 — CID 111045402

IUPAC1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-11(2)20-14-7-5-13(6-8-14)9-17-15(16)18-12(3)10-19-4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyVFBRLUHPFSKPTE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.91
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine

1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine (PubChem CID 111045402) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
PubChem CID111045402
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-11(2)20-14-7-5-13(6-8-14)9-17-15(16)18-12(3)10-19-4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyVFBRLUHPFSKPTE-UHFFFAOYSA-N
XLogP1.91
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]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

1-(1-methoxypropan-2-yl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049808
2-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
1-propan-2-yl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045350
1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054295
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111036143
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111087153
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111089855
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
2-[[4-(2-methoxyethylamino)phenyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111089854
1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 75482122
2-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111087668
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine (CID 111045402) is 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine is COCC(C)N/C(N)=N/Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
The InChIKey is VFBRLUHPFSKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)20-14-7-5-13(6-8-14)9-17-15(16)18-12(3)10-19-4/h5-8,11-12H,9-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine has a molecular weight of 279.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine is sourced from PubChem (CID 111045402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).