2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C23H30N4O — CID 111721147

IUPAC2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CC(c1ccccc1)N1CCOCC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C23H30N4O/c24-23(26-21-12-6-10-18-7-4-5-11-20(18)21)25-17-22(19-8-2-1-3-9-19)27-13-15-28-16-14-27/h1-3,6,8-10,12,22H,4-5,7,11,13-17H2,(H3,24,25,26)
InChIKeyDZEYJKVATZFRME-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111721147) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111721147
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESN/C(=N\CC(c1ccccc1)N1CCOCC1)Nc1cccc2c1CCCC2
InChIInChI=1S/C23H30N4O/c24-23(26-21-12-6-10-18-7-4-5-11-20(18)21)25-17-22(19-8-2-1-3-9-19)27-13-15-28-16-14-27/h1-3,6,8-10,12,22H,4-5,7,11,13-17H2,(H3,24,25,26)
InChIKeyDZEYJKVATZFRME-UHFFFAOYSA-N
XLogP3.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.37
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-methyl-2-morpholin-4-ylpentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720871
2-(3-morpholin-4-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720602
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
2-(oxan-4-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142322
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721293
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111087077
2-(1,3-dihydro-2-benzofuran-5-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119933993
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
2-(oxolan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142304

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111721147) is 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is N/C(=N\CC(c1ccccc1)N1CCOCC1)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is DZEYJKVATZFRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c24-23(26-21-12-6-10-18-7-4-5-11-20(18)21)25-17-22(19-8-2-1-3-9-19)27-13-15-28-16-14-27/h1-3,6,8-10,12,22H,4-5,7,11,13-17H2,(H3,24,25,26).
What are the key properties of 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 378.52 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-phenylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111721147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).