2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine

C15H26N4O2 — CID 111022703

IUPAC2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCCN(CC)CC/N=C(\N)Nc1cc(OC)ccc1OC
InChIInChI=1S/C15H26N4O2/c1-5-19(6-2)10-9-17-15(16)18-13-11-12(20-3)7-8-14(13)21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyUNITULDGMWKAKF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.77
Rot. Bonds8

About 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine

2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine (PubChem CID 111022703) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
PubChem CID111022703
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCCN(CC)CC/N=C(\N)Nc1cc(OC)ccc1OC
InChIInChI=1S/C15H26N4O2/c1-5-19(6-2)10-9-17-15(16)18-13-11-12(20-3)7-8-14(13)21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H3,16,17,18)
InChIKeyUNITULDGMWKAKF-UHFFFAOYSA-N
XLogP1.77
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.77
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-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]guanidine
CID 111023903
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111036308
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111057300
2-but-3-ynyl-1-(2,5-dimethoxyphenyl)guanidine
CID 119147803
1-(2,5-dimethoxyphenyl)-2-[3-(N-methylanilino)propyl]guanidine
CID 111029946
1-(2,5-dimethoxyphenyl)-2-(4-methylpentyl)guanidine;hydroiodide
CID 111054914
2-[2-(4-chlorophenoxy)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111032340
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N-ethylacetamide
CID 111032082
2-[[amino-(2,5-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111031749
1-(2,5-dimethoxyphenyl)-2-(2-naphthalen-2-ylethyl)guanidine
CID 111069802

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine (CID 111022703) is 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine is CCN(CC)CC/N=C(\N)Nc1cc(OC)ccc1OC.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine?
The InChIKey is UNITULDGMWKAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-19(6-2)10-9-17-15(16)18-13-11-12(20-3)7-8-14(13)21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H3,16,17,18).
What are the key properties of 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine?
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine has a molecular weight of 294.40 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine is sourced from PubChem (CID 111022703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).