1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine

C21H30N4O2 — CID 111029512

IUPAC1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
SMILESCCc1ccc(C(C/N=C(\N)Nc2cc(OC)ccc2OC)N(C)C)cc1
InChIInChI=1S/C21H30N4O2/c1-6-15-7-9-16(10-8-15)19(25(2)3)14-23-21(22)24-18-13-17(26-4)11-12-20(18)27-5/h7-13,19H,6,14H2,1-5H3,(H3,22,23,24)
InChIKeyAGJVZOVRFCPZMJ-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.30
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine

1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine (PubChem CID 111029512) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
PubChem CID111029512
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine
SMILESCCc1ccc(C(C/N=C(\N)Nc2cc(OC)ccc2OC)N(C)C)cc1
InChIInChI=1S/C21H30N4O2/c1-6-15-7-9-16(10-8-15)19(25(2)3)14-23-21(22)24-18-13-17(26-4)11-12-20(18)27-5/h7-13,19H,6,14H2,1-5H3,(H3,22,23,24)
InChIKeyAGJVZOVRFCPZMJ-UHFFFAOYSA-N
XLogP3.30
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.30
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'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111027561
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111027269
1-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058072
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111028906
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
2-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111027305
1-(2,5-dimethoxyphenyl)-2-[[4-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053856
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111027998
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111031749

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine (CID 111029512) is 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine is CCc1ccc(C(C/N=C(\N)Nc2cc(OC)ccc2OC)N(C)C)cc1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
The InChIKey is AGJVZOVRFCPZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-6-15-7-9-16(10-8-15)19(25(2)3)14-23-21(22)24-18-13-17(26-4)11-12-20(18)27-5/h7-13,19H,6,14H2,1-5H3,(H3,22,23,24).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine?
1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine has a molecular weight of 370.50 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]guanidine is sourced from PubChem (CID 111029512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).