1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

C16H26N4O — CID 111063190

IUPAC1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccccc1N1CCOCC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)19-15(17)18-12-13-6-4-5-7-14(13)20-8-10-21-11-9-20/h4-7H,8-12H2,1-3H3,(H3,17,18,19)
InChIKeyFIDCXPIVPJOUNA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.73
Rot. Bonds3

About 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine

1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine (PubChem CID 111063190) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
PubChem CID111063190
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
SMILESCC(C)(C)N/C(N)=N/Cc1ccccc1N1CCOCC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)19-15(17)18-12-13-6-4-5-7-14(13)20-8-10-21-11-9-20/h4-7H,8-12H2,1-3H3,(H3,17,18,19)
InChIKeyFIDCXPIVPJOUNA-UHFFFAOYSA-N
XLogP1.73
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.73
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 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]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

1-tert-butyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033230
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
1-tert-butyl-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 62362234
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 75419013
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
3-methyl-N'-[(2-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063224
4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
1-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472953
1-ethyl-3-[(2-ethylphenyl)methyl]-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111635340
2-amino-3-[4-[[N'-[(2-morpholin-4-ylphenyl)methyl]carbamimidoyl]carbamoyl]phenyl]propanoic acid
CID 118138696
1-butyl-3-ethyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111151495
1-tert-butyl-2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111054726

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The IUPAC name of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine (CID 111063190) is 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine.
What is the SMILES notation for 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The canonical SMILES for 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine is CC(C)(C)N/C(N)=N/Cc1ccccc1N1CCOCC1.
What is the InChIKey of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
The InChIKey is FIDCXPIVPJOUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)19-15(17)18-12-13-6-4-5-7-14(13)20-8-10-21-11-9-20/h4-7H,8-12H2,1-3H3,(H3,17,18,19).
What are the key properties of 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine?
1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine has a molecular weight of 290.41 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine is sourced from PubChem (CID 111063190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).