2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine

C19H33FN4 — CID 111230209

IUPAC2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCCCN(CC)CC)NCCc1ccc(F)cc1
InChIInChI=1S/C19H33FN4/c1-4-21-19(22-14-7-8-16-24(5-2)6-3)23-15-13-17-9-11-18(20)12-10-17/h9-12H,4-8,13-16H2,1-3H3,(H2,21,22,23)
InChIKeyKAQFXDFHZAPVLC-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.05
Rot. Bonds11

About 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine

2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine (PubChem CID 111230209) has the molecular formula C19H33FN4 and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
PubChem CID111230209
Molecular FormulaC19H33FN4
Molecular Weight336.50 g/mol
Exact Mass336.27
IUPAC Name2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
SMILESCCN/C(=N\CCCCN(CC)CC)NCCc1ccc(F)cc1
InChIInChI=1S/C19H33FN4/c1-4-21-19(22-14-7-8-16-24(5-2)6-3)23-15-13-17-9-11-18(20)12-10-17/h9-12H,4-8,13-16H2,1-3H3,(H2,21,22,23)
InChIKeyKAQFXDFHZAPVLC-UHFFFAOYSA-N
XLogP3.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111228989
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine;hydroiodide
CID 111228988
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-[2-(4-fluorophenyl)ethyl]guanidine
CID 111230673
1-[4-(diethylamino)butyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine
CID 111232763
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 111973314
1,3-diethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 110924914
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111230766
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111652910
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111499400
2-[7-(dimethylamino)heptyl]-1-ethyl-3-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111394956
ethyl 4-[[ethylamino-[2-(4-fluorophenyl)ethylamino]methylidene]amino]butanoate;hydroiodide
CID 111230244
1-ethyl-2-[4-[methyl(propan-2-yl)amino]butyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine?
The IUPAC name of 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine (CID 111230209) is 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine.
What is the SMILES notation for 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine?
The canonical SMILES for 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine is CCN/C(=N\CCCCN(CC)CC)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine?
The InChIKey is KAQFXDFHZAPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33FN4/c1-4-21-19(22-14-7-8-16-24(5-2)6-3)23-15-13-17-9-11-18(20)12-10-17/h9-12H,4-8,13-16H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine?
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine has a molecular weight of 336.50 g/mol, XLogP of 3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine is sourced from PubChem (CID 111230209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).