1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine

C21H28N4O — CID 111091312

IUPAC1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine
SMILESCc1ccc(C/N=C(\NCC2CN(C)CCO2)Nc2ccccc2)cc1
InChIInChI=1S/C21H28N4O/c1-17-8-10-18(11-9-17)14-22-21(24-19-6-4-3-5-7-19)23-15-20-16-25(2)12-13-26-20/h3-11,20H,12-16H2,1-2H3,(H2,22,23,24)
InChIKeyUCHHUMSDDAYFDO-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.88
Rot. Bonds5

About 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine

1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine (PubChem CID 111091312) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine
PubChem CID111091312
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine
SMILESCc1ccc(C/N=C(\NCC2CN(C)CCO2)Nc2ccccc2)cc1
InChIInChI=1S/C21H28N4O/c1-17-8-10-18(11-9-17)14-22-21(24-19-6-4-3-5-7-19)23-15-20-16-25(2)12-13-26-20/h3-11,20H,12-16H2,1-2H3,(H2,22,23,24)
InChIKeyUCHHUMSDDAYFDO-UHFFFAOYSA-N
XLogP2.88
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.88
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-methylphenyl)methyl]-1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylguanidine;hydroiodide
CID 111065363
2-[(4-methylphenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]-3-phenylguanidine;hydroiodide
CID 111086792
2-[(4-methylphenyl)methyl]-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-phenylguanidine;hydroiodide
CID 111090200
1-[(1,1-dioxothian-4-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 109467712
4-[[[ethylamino-[(4-methylmorpholin-2-yl)methylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874822
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(2-phenylethyl)guanidine
CID 111134903
1-ethyl-3-[(4-methylmorpholin-2-yl)methyl]-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111858074
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-[(4-methylphenyl)methyl]-1-phenyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111804079
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111172057

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine (CID 111091312) is 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine is Cc1ccc(C/N=C(\NCC2CN(C)CCO2)Nc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine?
The InChIKey is UCHHUMSDDAYFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-8-10-18(11-9-17)14-22-21(24-19-6-4-3-5-7-19)23-15-20-16-25(2)12-13-26-20/h3-11,20H,12-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine?
1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine has a molecular weight of 352.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]-2-[(4-methylphenyl)methyl]-3-phenylguanidine is sourced from PubChem (CID 111091312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).