1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine

C22H30N4O — CID 111054829

IUPAC1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CC(c2cccc(C)c2)N2CCOCC2)cc1
InChIInChI=1S/C22H30N4O/c1-3-18-7-9-20(10-8-18)25-22(23)24-16-21(26-11-13-27-14-12-26)19-6-4-5-17(2)15-19/h4-10,15,21H,3,11-14,16H2,1-2H3,(H3,23,24,25)
InChIKeyVWLMVQJINJZTIO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine

1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111054829) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111054829
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
SMILESCCc1ccc(N/C(N)=N/CC(c2cccc(C)c2)N2CCOCC2)cc1
InChIInChI=1S/C22H30N4O/c1-3-18-7-9-20(10-8-18)25-22(23)24-16-21(26-11-13-27-14-12-26)19-6-4-5-17(2)15-19/h4-10,15,21H,3,11-14,16H2,1-2H3,(H3,23,24,25)
InChIKeyVWLMVQJINJZTIO-UHFFFAOYSA-N
XLogP3.36
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.36
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-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111028236
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
1-[2-(4-methoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110925402
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111054709
1-(cyclobutylmethyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054851
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111098618
1-(cyclobutylmethyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054850
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111054825
1-(3-methylphenyl)-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 119142397

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine (CID 111054829) is 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine is CCc1ccc(N/C(N)=N/CC(c2cccc(C)c2)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is VWLMVQJINJZTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-3-18-7-9-20(10-8-18)25-22(23)24-16-21(26-11-13-27-14-12-26)19-6-4-5-17(2)15-19/h4-10,15,21H,3,11-14,16H2,1-2H3,(H3,23,24,25).
What are the key properties of 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine?
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 366.51 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111054829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).