1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine

C15H24N4O2 — CID 111023497

IUPAC1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CCCN2CCOCC2)c1
InChIInChI=1S/C15H24N4O2/c1-20-14-5-2-4-13(12-14)18-15(16)17-6-3-7-19-8-10-21-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H3,16,17,18)
InChIKeyDFFQKDKTYFLRQH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.14
Rot. Bonds6

About 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine

1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111023497) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111023497
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCOc1cccc(N/C(N)=N/CCCN2CCOCC2)c1
InChIInChI=1S/C15H24N4O2/c1-20-14-5-2-4-13(12-14)18-15(16)17-6-3-7-19-8-10-21-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H3,16,17,18)
InChIKeyDFFQKDKTYFLRQH-UHFFFAOYSA-N
XLogP1.14
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034741
1-(3-methylphenyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059830
2-(2-hydroxy-3-morpholin-4-ylpropyl)-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111032217
1-(3-methoxyphenyl)-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111056904
1-(3-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062285
1-(3-methoxyphenyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111023053
1-(3-methoxyphenyl)-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]guanidine;hydroiodide
CID 111058922
1-(3-methoxyphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine;hydroiodide
CID 111063059
1-(3,5-dimethylphenyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111023507
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-(4,4-dimethylpentyl)-1-(3-methoxyphenyl)guanidine
CID 111818232
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine (CID 111023497) is 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine is COc1cccc(N/C(N)=N/CCCN2CCOCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is DFFQKDKTYFLRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-20-14-5-2-4-13(12-14)18-15(16)17-6-3-7-19-8-10-21-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H3,16,17,18).
What are the key properties of 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine?
1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 292.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111023497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).