2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine

C11H15FN4O — CID 174519357

IUPAC2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(N2CCOCC2F)cc1
InChIInChI=1S/C11H15FN4O/c12-10-7-17-6-5-16(10)9-3-1-8(2-4-9)15-11(13)14/h1-4,10H,5-7H2,(H4,13,14,15)
InChIKeyCSDNWYBPBOXFJK-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.72
Rot. Bonds2

About 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine

2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine (PubChem CID 174519357) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine
PubChem CID174519357
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(N2CCOCC2F)cc1
InChIInChI=1S/C11H15FN4O/c12-10-7-17-6-5-16(10)9-3-1-8(2-4-9)15-11(13)14/h1-4,10H,5-7H2,(H4,13,14,15)
InChIKeyCSDNWYBPBOXFJK-UHFFFAOYSA-N
XLogP0.72
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.72
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
3-(3-fluoromorpholin-4-yl)benzoyl chloride
CID 174538559
4-(3-ethylmorpholin-4-yl)benzenecarbothioamide
CID 43613424
2-(4-methyl-3-morpholin-4-ylphenyl)guanidine
CID 68937461
2-(3-fluoromorpholin-4-yl)benzoyl azide
CID 174687250
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363
2-[4-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]guanidine
CID 139904317
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
CID 11971736
2-fluoro-4-(3-methylmorpholin-4-yl)benzenecarbothioamide
CID 115367942
2-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]guanidine
CID 21105045
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
CID 93111746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine?
The IUPAC name of 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine (CID 174519357) is 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine.
What is the SMILES notation for 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine?
The canonical SMILES for 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine is NC(N)=Nc1ccc(N2CCOCC2F)cc1.
What is the InChIKey of 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine?
The InChIKey is CSDNWYBPBOXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c12-10-7-17-6-5-16(10)9-3-1-8(2-4-9)15-11(13)14/h1-4,10H,5-7H2,(H4,13,14,15).
What are the key properties of 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine?
2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine has a molecular weight of 238.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoromorpholin-4-yl)phenyl]guanidine is sourced from PubChem (CID 174519357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).