2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine

C17H28N4O2 — CID 111816056

IUPAC2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCc1ccc(O)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H28N4O2/c18-17(20-9-2-10-21-11-13-23-14-12-21)19-8-1-3-15-4-6-16(22)7-5-15/h4-7,22H,1-3,8-14H2,(H3,18,19,20)
InChIKeyXNVWCIHTTOORQB-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.95
Rot. Bonds8

About 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine

2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 111816056) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID111816056
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
SMILESN/C(=N\CCCc1ccc(O)cc1)NCCCN1CCOCC1
InChIInChI=1S/C17H28N4O2/c18-17(20-9-2-10-21-11-13-23-14-12-21)19-8-1-3-15-4-6-16(22)7-5-15/h4-7,22H,1-3,8-14H2,(H3,18,19,20)
InChIKeyXNVWCIHTTOORQB-UHFFFAOYSA-N
XLogP0.95
TPSA83.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.95
H-Bond Donors ≤ 53
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

2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979
2-(3-morpholin-4-ylpropyl)-1-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111027382
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 111074310
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111033514
2-[3-(2,4-dichlorophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111600639
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794
2-(3-morpholin-4-ylpropyl)-1-[4-(2-phenylethoxy)butyl]guanidine;hydroiodide
CID 111068945
1-(3-morpholin-4-ylpropyl)-2-[3-(2-phenylmethoxyethoxy)propyl]guanidine;hydroiodide
CID 110018535
2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
1-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111806293
1-(4-methylpentyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111054905

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine (CID 111816056) is 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is N/C(=N\CCCc1ccc(O)cc1)NCCCN1CCOCC1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is XNVWCIHTTOORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c18-17(20-9-2-10-21-11-13-23-14-12-21)19-8-1-3-15-4-6-16(22)7-5-15/h4-7,22H,1-3,8-14H2,(H3,18,19,20).
What are the key properties of 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine?
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 320.44 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111816056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).