1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

C19H26N4O — CID 111049786

IUPAC1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)Oc1ccc(CCN/C(N)=N/CCc2ccccn2)cc1
InChIInChI=1S/C19H26N4O/c1-15(2)24-18-8-6-16(7-9-18)10-13-22-19(20)23-14-11-17-5-3-4-12-21-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H3,20,22,23)
InChIKeyRMSVACDLYFZFJS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.56
Rot. Bonds8

About 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine

1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111049786) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID111049786
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)Oc1ccc(CCN/C(N)=N/CCc2ccccn2)cc1
InChIInChI=1S/C19H26N4O/c1-15(2)24-18-8-6-16(7-9-18)10-13-22-19(20)23-14-11-17-5-3-4-12-21-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H3,20,22,23)
InChIKeyRMSVACDLYFZFJS-UHFFFAOYSA-N
XLogP2.56
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.56
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-[(4-propan-2-yloxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111045369
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193143
1-(2-naphthalen-2-ylethyl)-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111069799
1-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613805
2-(2-methoxyethyl)-1-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110913371
1-[2-(4-methylphenoxy)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026860
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363919
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 110924654
1-[2-(4-methoxyphenyl)ethyl]-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110925910
2-(3-phenoxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111036934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine (CID 111049786) is 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is CC(C)Oc1ccc(CCN/C(N)=N/CCc2ccccn2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is RMSVACDLYFZFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)24-18-8-6-16(7-9-18)10-13-22-19(20)23-14-11-17-5-3-4-12-21-17/h3-9,12,15H,10-11,13-14H2,1-2H3,(H3,20,22,23).
What are the key properties of 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine?
1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 326.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111049786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).