2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine

C21H27ClN4O — CID 110936795

IUPAC2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
SMILESCC1(C)CN(C(C/N=C(\N)Nc2ccccc2)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H27ClN4O/c1-21(2)15-26(12-13-27-21)19(16-8-10-17(22)11-9-16)14-24-20(23)25-18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H3,23,24,25)
InChIKeyBFACHSUIYJWJKA-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.92
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine

2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine (PubChem CID 110936795) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
PubChem CID110936795
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
SMILESCC1(C)CN(C(C/N=C(\N)Nc2ccccc2)c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C21H27ClN4O/c1-21(2)15-26(12-13-27-21)19(16-8-10-17(22)11-9-16)14-24-20(23)25-18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H3,23,24,25)
InChIKeyBFACHSUIYJWJKA-UHFFFAOYSA-N
XLogP3.92
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.92
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-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136859919
1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936796
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111087045
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111087065
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925124
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111087077
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine (CID 110936795) is 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine is CC1(C)CN(C(C/N=C(\N)Nc2ccccc2)c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine?
The InChIKey is BFACHSUIYJWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-21(2)15-26(12-13-27-21)19(16-8-10-17(22)11-9-16)14-24-20(23)25-18-6-4-3-5-7-18/h3-11,19H,12-15H2,1-2H3,(H3,23,24,25).
What are the key properties of 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine?
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine has a molecular weight of 386.93 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 110936795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).