2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine

C19H34N4O — CID 110978559

IUPAC2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N(C)C)NCCC(C)C
InChIInChI=1S/C19H34N4O/c1-7-20-19(21-13-12-15(2)3)22-14-17(23(4)5)16-10-8-9-11-18(16)24-6/h8-11,15,17H,7,12-14H2,1-6H3,(H2,20,21,22)
InChIKeyHWWUAKQNADETFX-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.90
Rot. Bonds9

About 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine

2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine (PubChem CID 110978559) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
PubChem CID110978559
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1OC)N(C)C)NCCC(C)C
InChIInChI=1S/C19H34N4O/c1-7-20-19(21-13-12-15(2)3)22-14-17(23(4)5)16-10-8-9-11-18(16)24-6/h8-11,15,17H,7,12-14H2,1-6H3,(H2,20,21,22)
InChIKeyHWWUAKQNADETFX-UHFFFAOYSA-N
XLogP2.90
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.90
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-(3-methylbutyl)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-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125746
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111652503
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111962505
1-ethyl-2-[2-(2-methoxyphenyl)propyl]-3-propylguanidine;hydroiodide
CID 111225492
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915665
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-[2-(2-methoxyphenyl)ethyl]guanidine
CID 111339021
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methylbutyl)guanidine
CID 109409009
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897138
2-[2-(dimethylamino)-2-phenylethyl]-1,3-diethylguanidine;hydroiodide
CID 110924919
N-[2-[[N-ethyl-N'-[2-(2-methoxyphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928297
1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111682543

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine (CID 110978559) is 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine is CCN/C(=N\CC(c1ccccc1OC)N(C)C)NCCC(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine?
The InChIKey is HWWUAKQNADETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-7-20-19(21-13-12-15(2)3)22-14-17(23(4)5)16-10-8-9-11-18(16)24-6/h8-11,15,17H,7,12-14H2,1-6H3,(H2,20,21,22).
What are the key properties of 2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine?
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-(3-methylbutyl)guanidine has a molecular weight of 334.51 g/mol, XLogP of 2.90, 9 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-(3-methylbutyl)guanidine is sourced from PubChem (CID 110978559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).