2-(2-morpholin-4-ylethyl)-1-phenylguanidine

C13H20N4O — CID 62364486

IUPAC2-(2-morpholin-4-ylethyl)-1-phenylguanidine
SMILESN/C(=N\CCN1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H20N4O/c14-13(16-12-4-2-1-3-5-12)15-6-7-17-8-10-18-11-9-17/h1-5H,6-11H2,(H3,14,15,16)
InChIKeyBFCVVTSIVFCMCR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-1-phenylguanidine

2-(2-morpholin-4-ylethyl)-1-phenylguanidine (PubChem CID 62364486) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1-phenylguanidine
PubChem CID62364486
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(2-morpholin-4-ylethyl)-1-phenylguanidine
SMILESN/C(=N\CCN1CCOCC1)Nc1ccccc1
InChIInChI=1S/C13H20N4O/c14-13(16-12-4-2-1-3-5-12)15-6-7-17-8-10-18-11-9-17/h1-5H,6-11H2,(H3,14,15,16)
InChIKeyBFCVVTSIVFCMCR-UHFFFAOYSA-N
XLogP0.75
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.75
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-morpholin-4-ylethyl)-1-phenylguanidine 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

2-(2-morpholin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111024489
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
1-(3-methylphenyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059830
1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023497
1-amino-2-(2-morpholin-4-ylethyl)guanidine
CID 15114686
N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 110925915
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023507
1,2-bis(2-morpholin-4-ylethyl)guanidine
CID 141003386
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
methyl 4-[[N'-(2-morpholin-4-ylethyl)-N-phenylcarbamimidoyl]carbamoyl]benzoate
CID 50820218

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1-phenylguanidine?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1-phenylguanidine (CID 62364486) is 2-(2-morpholin-4-ylethyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1-phenylguanidine is N/C(=N\CCN1CCOCC1)Nc1ccccc1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1-phenylguanidine?
The InChIKey is BFCVVTSIVFCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(16-12-4-2-1-3-5-12)15-6-7-17-8-10-18-11-9-17/h1-5H,6-11H2,(H3,14,15,16).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1-phenylguanidine?
2-(2-morpholin-4-ylethyl)-1-phenylguanidine has a molecular weight of 248.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1-phenylguanidine is sourced from PubChem (CID 62364486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).