2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine

C21H30N4O2 — CID 111036308

IUPAC2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)Nc1cc(OC)ccc1OC
InChIInChI=1S/C21H30N4O2/c1-5-25(6-2)15-17-10-8-7-9-16(17)14-23-21(22)24-19-13-18(26-3)11-12-20(19)27-4/h7-13H,5-6,14-15H2,1-4H3,(H3,22,23,24)
InChIKeyXAPGVVUZKHJAAN-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.47
Rot. Bonds9

About 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine

2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine (PubChem CID 111036308) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
PubChem CID111036308
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCCN(CC)Cc1ccccc1C/N=C(\N)Nc1cc(OC)ccc1OC
InChIInChI=1S/C21H30N4O2/c1-5-25(6-2)15-17-10-8-7-9-16(17)14-23-21(22)24-19-13-18(26-3)11-12-20(19)27-4/h7-13H,5-6,14-15H2,1-4H3,(H3,22,23,24)
InChIKeyXAPGVVUZKHJAAN-UHFFFAOYSA-N
XLogP3.47
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.47
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

2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111036259
1-(2,5-dimethoxyphenyl)-2-[(2-prop-2-enoxyphenyl)methyl]guanidine
CID 111810172
2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111022703
1-(3-chloro-4-methoxyphenyl)-2-[[2-(diethylaminomethyl)phenyl]methyl]guanidine;hydroiodide
CID 111036325
1-(2,5-dimethoxyphenyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111033263
1-(2,5-dimethoxyphenyl)-2-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047075
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
2-[(2,5-difluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 111801010
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111812929
1-(2,5-dimethoxyphenyl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 110027052
1-(2,5-dimethoxyphenyl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085764
1-(2,5-dimethoxyphenyl)-2-prop-2-enylguanidine
CID 111023982

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine?
The IUPAC name of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine (CID 111036308) is 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine.
What is the SMILES notation for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine?
The canonical SMILES for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine is CCN(CC)Cc1ccccc1C/N=C(\N)Nc1cc(OC)ccc1OC.
What is the InChIKey of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine?
The InChIKey is XAPGVVUZKHJAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-5-25(6-2)15-17-10-8-7-9-16(17)14-23-21(22)24-19-13-18(26-3)11-12-20(19)27-4/h7-13H,5-6,14-15H2,1-4H3,(H3,22,23,24).
What are the key properties of 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine?
2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine has a molecular weight of 370.50 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,5-dimethoxyphenyl)guanidine is sourced from PubChem (CID 111036308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).