2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine

C15H24N4O — CID 111439306

IUPAC2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)CN1CCOCC1
InChIInChI=1S/C15H24N4O/c1-13(12-19-7-9-20-10-8-19)11-17-15(16)18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H3,16,17,18)
InChIKeyUKBNFOCOGKAUBG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine

2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine (PubChem CID 111439306) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
PubChem CID111439306
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)CN1CCOCC1
InChIInChI=1S/C15H24N4O/c1-13(12-19-7-9-20-10-8-19)11-17-15(16)18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H3,16,17,18)
InChIKeyUKBNFOCOGKAUBG-UHFFFAOYSA-N
XLogP1.38
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.38
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-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-phenylguanidine
CID 110927374
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
1-(4-ethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070246
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine
CID 111599202
1-(4-butan-2-ylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070216
1-(4-methoxyphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111074647
1-(4-butan-2-ylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111070215
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111070469
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032217
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine?
The IUPAC name of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine (CID 111439306) is 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine is CC(C/N=C(\N)Nc1ccccc1)CN1CCOCC1.
What is the InChIKey of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine?
The InChIKey is UKBNFOCOGKAUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13(12-19-7-9-20-10-8-19)11-17-15(16)18-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H3,16,17,18).
What are the key properties of 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine?
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine has a molecular weight of 276.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine is sourced from PubChem (CID 111439306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).