2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine

C23H32N4O — CID 111071659

IUPAC2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2ccccc2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C23H32N4O/c1-4-19-9-11-22(12-10-19)26-23(24)25-13-20-7-5-6-8-21(20)16-27-14-17(2)28-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3,(H3,24,25,26)
InChIKeyABTAVEDDFZCUNG-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.79
Rot. Bonds6

About 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine

2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine (PubChem CID 111071659) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine.

Molecular Properties

Compound Name2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine
PubChem CID111071659
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine
SMILESCCc1ccc(N/C(N)=N/Cc2ccccc2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C23H32N4O/c1-4-19-9-11-22(12-10-19)26-23(24)25-13-20-7-5-6-8-21(20)16-27-14-17(2)28-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3,(H3,24,25,26)
InChIKeyABTAVEDDFZCUNG-UHFFFAOYSA-N
XLogP3.79
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.79
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-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893240
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111034472
1-(cyclobutylmethyl)-2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111071676
1-(4-ethylphenyl)-2-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111052619
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111126950
2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-prop-2-enylguanidine
CID 110980879
1-butyl-2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111151977
1-(4-ethylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084102
1-cyclopentyl-2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-ethylguanidine
CID 110990679
2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345652
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111083730

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine?
The IUPAC name of 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine (CID 111071659) is 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine.
What is the SMILES notation for 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine?
The canonical SMILES for 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine is CCc1ccc(N/C(N)=N/Cc2ccccc2CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine?
The InChIKey is ABTAVEDDFZCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-19-9-11-22(12-10-19)26-23(24)25-13-20-7-5-6-8-21(20)16-27-14-17(2)28-18(3)15-27/h5-12,17-18H,4,13-16H2,1-3H3,(H3,24,25,26).
What are the key properties of 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine?
2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine has a molecular weight of 380.54 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(4-ethylphenyl)guanidine is sourced from PubChem (CID 111071659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).