2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide

C13H20FN3O — CID 55233706

IUPAC2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCN(CC)CC
InChIInChI=1S/C13H20FN3O/c1-3-17(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H3,15,16)
InChIKeyKVSIJRRRZTYHBB-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide

2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide (PubChem CID 55233706) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
PubChem CID55233706
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OCCN(CC)CC
InChIInChI=1S/C13H20FN3O/c1-3-17(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H3,15,16)
InChIKeyKVSIJRRRZTYHBB-UHFFFAOYSA-N
XLogP1.83
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.83
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'}

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Related Compounds

2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993
5-fluoro-2-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 63668159
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
5-bromo-2-butoxybenzenecarboximidamide
CID 114893278
2-[butyl(ethyl)amino]-5-fluorobenzenecarboximidamide
CID 55234106
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612
2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorobenzenecarboximidamide
CID 81056626
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide (CID 55233706) is 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1OCCN(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide?
The InChIKey is KVSIJRRRZTYHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-17(4-2)7-8-18-12-6-5-10(14)9-11(12)13(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H3,15,16).
What are the key properties of 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide?
2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide has a molecular weight of 253.32 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 55233706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).