1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine

C14H23N3O — CID 111031315

IUPAC1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
SMILESCOCC(C)N/C(N)=N/CCc1ccccc1C
InChIInChI=1S/C14H23N3O/c1-11-6-4-5-7-13(11)8-9-16-14(15)17-12(2)10-18-3/h4-7,12H,8-10H2,1-3H3,(H3,15,16,17)
InChIKeyGYKHOFBUPMCGHZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.48
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine

1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine (PubChem CID 111031315) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
PubChem CID111031315
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine
SMILESCOCC(C)N/C(N)=N/CCc1ccccc1C
InChIInChI=1S/C14H23N3O/c1-11-6-4-5-7-13(11)8-9-16-14(15)17-12(2)10-18-3/h4-7,12H,8-10H2,1-3H3,(H3,15,16,17)
InChIKeyGYKHOFBUPMCGHZ-UHFFFAOYSA-N
XLogP1.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.48
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 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]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-methylphenyl)methyl]guanidine
CID 111031466
2-[2-(2-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044414
2-[2-(2-ethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111100181
1-(1-methoxypropan-2-yl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077790
2-[2-(3,5-dimethylphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111818651
2-[(2-ethylphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111817664
2-[2-(2,6-difluorophenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111060754
2-[2-(2,5-dimethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111044494
2-[(2-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111026675
1-(1-methoxypropan-2-yl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049808
1-amino-3-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 116513489
2-[2-(1-benzofuran-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111818050

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine (CID 111031315) is 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine is COCC(C)N/C(N)=N/CCc1ccccc1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine?
The InChIKey is GYKHOFBUPMCGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-6-4-5-7-13(11)8-9-16-14(15)17-12(2)10-18-3/h4-7,12H,8-10H2,1-3H3,(H3,15,16,17).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-[2-(2-methylphenyl)ethyl]guanidine is sourced from PubChem (CID 111031315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).