2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine

C17H30N4O — CID 111125746

IUPAC2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N(C)C)NC(C)C
InChIInChI=1S/C17H30N4O/c1-7-18-17(20-13(2)3)19-12-15(21(4)5)14-10-8-9-11-16(14)22-6/h8-11,13,15H,7,12H2,1-6H3,(H2,18,19,20)
InChIKeyQUUBYFKQBHLLHL-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.26
Rot. Bonds7

About 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine

2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine (PubChem CID 111125746) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
PubChem CID111125746
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N(C)C)NC(C)C
InChIInChI=1S/C17H30N4O/c1-7-18-17(20-13(2)3)19-12-15(21(4)5)14-10-8-9-11-16(14)22-6/h8-11,13,15H,7,12H2,1-6H3,(H2,18,19,20)
InChIKeyQUUBYFKQBHLLHL-UHFFFAOYSA-N
XLogP2.26
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.26
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 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine 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-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
CID 110978559
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962505
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111652503
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123891
1-butan-2-yl-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110945323
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915665
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235161
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
CID 111225492
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125222

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine (CID 111125746) is 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine is CCN/C(=N\CC(c1ccccc1OC)N(C)C)NC(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine?
The InChIKey is QUUBYFKQBHLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-7-18-17(20-13(2)3)19-12-15(21(4)5)14-10-8-9-11-16(14)22-6/h8-11,13,15H,7,12H2,1-6H3,(H2,18,19,20).
What are the key properties of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine?
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine has a molecular weight of 306.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine is sourced from PubChem (CID 111125746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).