2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine

C13H19ClN4O — CID 110914972

IUPAC2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
SMILESNC(N)=NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C13H19ClN4O/c14-11-4-2-1-3-10(11)12(9-17-13(15)16)18-5-7-19-8-6-18/h1-4,12H,5-9H2,(H4,15,16,17)
InChIKeyAUXHPENWKPAHSG-UHFFFAOYSA-N
MW282.77 g/mol
LogP0.99
Rot. Bonds4

About 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine

2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 110914972) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
PubChem CID110914972
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine
SMILESNC(N)=NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C13H19ClN4O/c14-11-4-2-1-3-10(11)12(9-17-13(15)16)18-5-7-19-8-6-18/h1-4,12H,5-9H2,(H4,15,16,17)
InChIKeyAUXHPENWKPAHSG-UHFFFAOYSA-N
XLogP0.99
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 50.99
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'}

Analyze 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]morpholine-4-carboximidamide
CID 111054719
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111054785
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111054709
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111054784
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-ethylphenyl)guanidine
CID 111054747
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111054728
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]guanidine
CID 111054735
3-(2-chlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526362
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(cyclopropylmethyl)-3-ethylguanidine
CID 111870731
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963557

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine (CID 110914972) is 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine is NC(N)=NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is AUXHPENWKPAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c14-11-4-2-1-3-10(11)12(9-17-13(15)16)18-5-7-19-8-6-18/h1-4,12H,5-9H2,(H4,15,16,17).
What are the key properties of 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine?
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 282.77 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 110914972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).