1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine

C19H25N3O2 — CID 111808570

IUPAC1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C19H25N3O2/c1-4-22(5-2)19(20)21-14-15-10-12-16(13-11-15)24-18-9-7-6-8-17(18)23-3/h6-13H,4-5,14H2,1-3H3,(H2,20,21)
InChIKeyLZLWFMZYTDKKNA-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.64
Rot. Bonds7

About 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine

1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine (PubChem CID 111808570) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
PubChem CID111808570
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
SMILESCCN(CC)/C(N)=N/Cc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C19H25N3O2/c1-4-22(5-2)19(20)21-14-15-10-12-16(13-11-15)24-18-9-7-6-8-17(18)23-3/h6-13H,4-5,14H2,1-3H3,(H2,20,21)
InChIKeyLZLWFMZYTDKKNA-UHFFFAOYSA-N
XLogP3.64
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 111117542
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1,1-diethylguanidine
CID 111100929
1-butyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine;hydroiodide
CID 111808577
1,1-diethyl-2-[(3-phenoxyphenyl)methyl]guanidine
CID 111069350
1,1-diethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111026358
1-(3,4-dimethoxyphenyl)-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine
CID 111808554
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111808571
1,1-diethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111051903

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine?
The IUPAC name of 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine (CID 111808570) is 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine.
What is the SMILES notation for 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine?
The canonical SMILES for 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine is CCN(CC)/C(N)=N/Cc1ccc(Oc2ccccc2OC)cc1.
What is the InChIKey of 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine?
The InChIKey is LZLWFMZYTDKKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-22(5-2)19(20)21-14-15-10-12-16(13-11-15)24-18-9-7-6-8-17(18)23-3/h6-13H,4-5,14H2,1-3H3,(H2,20,21).
What are the key properties of 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine?
1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine has a molecular weight of 327.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-[[4-(2-methoxyphenoxy)phenyl]methyl]guanidine is sourced from PubChem (CID 111808570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).