2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine

C21H30N4O2 — CID 111052985

IUPAC2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H30N4O2/c1-4-25(5-2)14-15-27-20-10-6-17(7-11-20)16-23-21(22)24-18-8-12-19(26-3)13-9-18/h6-13H,4-5,14-16H2,1-3H3,(H3,22,23,24)
InChIKeyZAJFLEJSILPEHA-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.34
Rot. Bonds10

About 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine

2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine (PubChem CID 111052985) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
PubChem CID111052985
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
SMILESCCN(CC)CCOc1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H30N4O2/c1-4-25(5-2)14-15-27-20-10-6-17(7-11-20)16-23-21(22)24-18-8-12-19(26-3)13-9-18/h6-13H,4-5,14-16H2,1-3H3,(H3,22,23,24)
InChIKeyZAJFLEJSILPEHA-UHFFFAOYSA-N
XLogP3.34
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)-2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111053032
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111053050
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111034023
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048251
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
1-(3,4-dimethoxyphenyl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]guanidine
CID 111100951
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(2-phenylethyl)guanidine
CID 111052997
methyl 4-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024008

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine (CID 111052985) is 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine is CCN(CC)CCOc1ccc(C/N=C(\N)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
The InChIKey is ZAJFLEJSILPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-25(5-2)14-15-27-20-10-6-17(7-11-20)16-23-21(22)24-18-8-12-19(26-3)13-9-18/h6-13H,4-5,14-16H2,1-3H3,(H3,22,23,24).
What are the key properties of 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine?
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine has a molecular weight of 370.50 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111052985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).