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

C18H23N3O — CID 110924654

IUPAC1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
SMILESCC(C)Oc1ccc(CC/N=C(\N)Nc2ccccc2)cc1
InChIInChI=1S/C18H23N3O/c1-14(2)22-17-10-8-15(9-11-17)12-13-20-18(19)21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H3,19,20,21)
InChIKeyQXAIVIKBSOJTTA-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.44
Rot. Bonds6

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

1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine (PubChem CID 110924654) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
PubChem CID110924654
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
SMILESCC(C)Oc1ccc(CC/N=C(\N)Nc2ccccc2)cc1
InChIInChI=1S/C18H23N3O/c1-14(2)22-17-10-8-15(9-11-17)12-13-20-18(19)21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H3,19,20,21)
InChIKeyQXAIVIKBSOJTTA-UHFFFAOYSA-N
XLogP3.44
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
2-[3-(2-phenylethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111074342
2-[2-(4-methylsulfonylphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111815160
1-(4-propan-2-yloxyphenyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111039683
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969
2-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111026069
2-[3-[benzyl(methyl)amino]propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111035049
2-(2-naphthalen-2-ylethyl)-1-phenylguanidine
CID 110926253
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111811276
1-(4-methoxyphenyl)-2-[2-(4-phenylmethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111072148

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
The IUPAC name of 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine (CID 110924654) is 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine is CC(C)Oc1ccc(CC/N=C(\N)Nc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
The InChIKey is QXAIVIKBSOJTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(2)22-17-10-8-15(9-11-17)12-13-20-18(19)21-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H3,19,20,21).
What are the key properties of 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine?
1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine has a molecular weight of 297.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine is sourced from PubChem (CID 110924654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).