2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

C23H26N4O2 — CID 111032714

IUPAC2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCOc1cc(C/N=C(\N)NCCc2ccccn2)ccc1OCc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-28-22-15-19(10-11-21(22)29-17-18-7-3-2-4-8-18)16-27-23(24)26-14-12-20-9-5-6-13-25-20/h2-11,13,15H,12,14,16-17H2,1H3,(H3,24,26,27)
InChIKeyTXUHRSQUYJZRCT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.32
Rot. Bonds9

About 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine

2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111032714) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
PubChem CID111032714
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
SMILESCOc1cc(C/N=C(\N)NCCc2ccccn2)ccc1OCc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-28-22-15-19(10-11-21(22)29-17-18-7-3-2-4-8-18)16-27-23(24)26-14-12-20-9-5-6-13-25-20/h2-11,13,15H,12,14,16-17H2,1H3,(H3,24,26,27)
InChIKeyTXUHRSQUYJZRCT-UHFFFAOYSA-N
XLogP3.32
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.32
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-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-propylguanidine;hydroiodide
CID 111032693
2-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111088393
2-[[4-(phenoxymethyl)phenyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111054276
2-[(3-hydroxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 75532909
2-[(3,4-dimethoxyphenyl)methyl]-1-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050577
1-[2-(4-methoxyphenyl)ethyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110925910
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111053130
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111083165
2-[(4-propan-2-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111045369
1-(3-methoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111032679
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192701
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine (CID 111032714) is 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is COc1cc(C/N=C(\N)NCCc2ccccn2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is TXUHRSQUYJZRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-22-15-19(10-11-21(22)29-17-18-7-3-2-4-8-18)16-27-23(24)26-14-12-20-9-5-6-13-25-20/h2-11,13,15H,12,14,16-17H2,1H3,(H3,24,26,27).
What are the key properties of 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine?
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 390.49 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111032714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).