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

C20H26N4O — CID 110925404

IUPAC2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
SMILESCc1cccc(C(C/N=C(\N)Nc2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C20H26N4O/c1-16-6-5-7-17(14-16)19(24-10-12-25-13-11-24)15-22-20(21)23-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H3,21,22,23)
InChIKeyKXDCKTGXSKWRHO-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.80
Rot. Bonds5

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

2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine (PubChem CID 110925404) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
PubChem CID110925404
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
SMILESCc1cccc(C(C/N=C(\N)Nc2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C20H26N4O/c1-16-6-5-7-17(14-16)19(24-10-12-25-13-11-24)15-22-20(21)23-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H3,21,22,23)
InChIKeyKXDCKTGXSKWRHO-UHFFFAOYSA-N
XLogP2.80
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.80
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

1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111028236
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925124
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
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
1-(3-methylphenyl)-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 119142397
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-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 119140768

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine (CID 110925404) is 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine is Cc1cccc(C(C/N=C(\N)Nc2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine?
The InChIKey is KXDCKTGXSKWRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-6-5-7-17(14-16)19(24-10-12-25-13-11-24)15-22-20(21)23-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H3,21,22,23).
What are the key properties of 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine?
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine has a molecular weight of 338.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine is sourced from PubChem (CID 110925404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).