1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine

C17H30N4O — CID 111183856

IUPAC1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC)cc1)NCCN(CC)CC
InChIInChI=1S/C17H30N4O/c1-5-18-17(19-12-13-21(6-2)7-3)20-14-15-8-10-16(22-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H2,18,19,20)
InChIKeyWGAFJOCMRUQYME-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.09
Rot. Bonds9

About 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine

1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine (PubChem CID 111183856) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
PubChem CID111183856
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC)cc1)NCCN(CC)CC
InChIInChI=1S/C17H30N4O/c1-5-18-17(19-12-13-21(6-2)7-3)20-14-15-8-10-16(22-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H2,18,19,20)
InChIKeyWGAFJOCMRUQYME-UHFFFAOYSA-N
XLogP2.09
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.09
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-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)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-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)propyl]guanidine
CID 111183150
1-ethyl-2,3-bis[(4-methoxyphenyl)methyl]guanidine
CID 111181237
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)guanidine
CID 110975009
1-[2-[benzyl(methyl)amino]ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111181866
2-benzyl-1-ethyl-3-[2-(4-methoxyphenyl)ethyl]guanidine
CID 110953528
1-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
N-[2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111181274
3-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-propylpropanamide
CID 111181865
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111627497
2-benzyl-1-ethyl-3-[(4-methoxyphenyl)methyl]guanidine
CID 110953544
1-ethyl-3-[[4-(methoxymethyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111182936
1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine
CID 111511735

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine (CID 111183856) is 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine is CCN/C(=N\Cc1ccc(OC)cc1)NCCN(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine?
The InChIKey is WGAFJOCMRUQYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-18-17(19-12-13-21(6-2)7-3)20-14-15-8-10-16(22-4)11-9-15/h8-11H,5-7,12-14H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine?
1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine has a molecular weight of 306.45 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 111183856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).