1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine

C20H26FN3O2 — CID 111985911

IUPAC1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(O)cc1)NCC(CC)Oc1ccccc1F
InChIInChI=1S/C20H26FN3O2/c1-3-17(26-19-8-6-5-7-18(19)21)14-24-20(22-4-2)23-13-15-9-11-16(25)12-10-15/h5-12,17,25H,3-4,13-14H2,1-2H3,(H2,22,23,24)
InChIKeyDSIIMHIDRNNMIY-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.44
Rot. Bonds8

About 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine

1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine (PubChem CID 111985911) has the molecular formula C20H26FN3O2 and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine
PubChem CID111985911
Molecular FormulaC20H26FN3O2
Molecular Weight359.44 g/mol
Exact Mass359.20
IUPAC Name1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(O)cc1)NCC(CC)Oc1ccccc1F
InChIInChI=1S/C20H26FN3O2/c1-3-17(26-19-8-6-5-7-18(19)21)14-24-20(22-4-2)23-13-15-9-11-16(25)12-10-15/h5-12,17,25H,3-4,13-14H2,1-2H3,(H2,22,23,24)
InChIKeyDSIIMHIDRNNMIY-UHFFFAOYSA-N
XLogP3.44
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.44
H-Bond Donors ≤ 53
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

1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111969035
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111969034
4-[[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111684690
1-ethyl-3-(2-ethylbutyl)-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111987536
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111684844
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111968292
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111342533
1-ethyl-3-[2-(2-fluorophenoxy)propyl]-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111683936
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 111968011
2-benzyl-1-ethyl-3-[(4-hydroxyphenyl)methyl]guanidine
CID 110953698
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)guanidine
CID 111232291
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111684991

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine (CID 111985911) is 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine is CCN/C(=N\Cc1ccc(O)cc1)NCC(CC)Oc1ccccc1F.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine?
The InChIKey is DSIIMHIDRNNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-3-17(26-19-8-6-5-7-18(19)21)14-24-20(22-4-2)23-13-15-9-11-16(25)12-10-15/h5-12,17,25H,3-4,13-14H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine?
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine has a molecular weight of 359.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine is sourced from PubChem (CID 111985911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).