1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

C20H28N4O — CID 111191814

IUPAC1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C20H28N4O/c1-20(2,16-8-10-18(25-4)11-9-16)15-24-19(21-3)23-14-12-17-7-5-6-13-22-17/h5-11,13H,12,14-15H2,1-4H3,(H2,21,23,24)
InChIKeyZGNUOYUBAVCFIH-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.78
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine

1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111191814) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
PubChem CID111191814
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1ccccn1)NCC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C20H28N4O/c1-20(2,16-8-10-18(25-4)11-9-16)15-24-19(21-3)23-14-12-17-7-5-6-13-22-17/h5-11,13H,12,14-15H2,1-4H3,(H2,21,23,24)
InChIKeyZGNUOYUBAVCFIH-UHFFFAOYSA-N
XLogP2.78
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
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-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194098
1-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111625225
1-[2-(2-chlorophenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191984
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191829
1-ethyl-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969157
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969434
1-[2-(2-fluorophenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191889
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methylguanidine
CID 111533101
2-methyl-1-[2-methyl-2-(4-methylphenyl)propyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970704
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111905049
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111193761
1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine (CID 111191814) is 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is C/N=C(\NCCc1ccccn1)NCC(C)(C)c1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is ZGNUOYUBAVCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,16-8-10-18(25-4)11-9-16)15-24-19(21-3)23-14-12-17-7-5-6-13-22-17/h5-11,13H,12,14-15H2,1-4H3,(H2,21,23,24).
What are the key properties of 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine?
1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 340.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111191814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).