2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine

C14H23N3O — CID 111964503

IUPAC2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NCCOCc1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-9-16-14(15-2)17-10-11-18-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,15,16,17)
InChIKeySUZRJZQTVRSDEV-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds7

About 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine

2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine (PubChem CID 111964503) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
PubChem CID111964503
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
SMILESCCCN/C(=N\C)NCCOCc1ccccc1
InChIInChI=1S/C14H23N3O/c1-3-9-16-14(15-2)17-10-11-18-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,15,16,17)
InChIKeySUZRJZQTVRSDEV-UHFFFAOYSA-N
XLogP1.78
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine 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-(2-methoxyethoxy)propyl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine
CID 111965273
1-(2-methoxyethyl)-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 75532528
1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964300
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111965030
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111693150
2-methyl-1-(4-phenylmethoxybutyl)-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199539
2-benzyl-1-ethyl-3-(2-phenylmethoxyethyl)guanidine
CID 111963897
1-[2-(2-butoxyethoxy)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111499345
1-(2-ethoxyethyl)-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111198953
2-methyl-1-(3-phenoxypropyl)-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111417746
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(4-phenylmethoxybutyl)guanidine
CID 111404807
1-(2-ethoxyethyl)-2-methyl-3-[(4-phenylmethoxyphenyl)methyl]guanidine
CID 111895989

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine?
The IUPAC name of 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine (CID 111964503) is 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine?
The canonical SMILES for 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine is CCCN/C(=N\C)NCCOCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine?
The InChIKey is SUZRJZQTVRSDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-16-14(15-2)17-10-11-18-12-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine?
2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine has a molecular weight of 249.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine is sourced from PubChem (CID 111964503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).