4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide

C13H20FN3O — CID 61446080

IUPAC4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CCOC)c(F)c1
InChIInChI=1S/C13H20FN3O/c1-3-17(6-7-18-2)9-11-5-4-10(13(15)16)8-12(11)14/h4-5,8H,3,6-7,9H2,1-2H3,(H3,15,16)
InChIKeyJTISLMQMQYBRNK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.58
Rot. Bonds7

About 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide

4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide (PubChem CID 61446080) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
PubChem CID61446080
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)CCOC)c(F)c1
InChIInChI=1S/C13H20FN3O/c1-3-17(6-7-18-2)9-11-5-4-10(13(15)16)8-12(11)14/h4-5,8H,3,6-7,9H2,1-2H3,(H3,15,16)
InChIKeyJTISLMQMQYBRNK-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

4-[[bis(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61418959
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
[4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorophenyl]boronic acid
CID 54970679
3-chloro-4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 102667838
3-[(4-chloro-2-fluorophenyl)methyl-(2-methoxyethyl)amino]propanimidamide
CID 114849629
3-fluoro-4-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 43571163
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
4-[[butyl(ethyl)amino]methyl]-3-chlorobenzenecarboximidamide
CID 102667719
3-fluoro-4-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572176
4-[(N-ethyl-3-methylanilino)methyl]-3-fluorobenzenecarboximidamide
CID 61075864
3-fluoro-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 79490942

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide (CID 61446080) is 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC)CCOC)c(F)c1.
What is the InChIKey of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide?
The InChIKey is JTISLMQMQYBRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-17(6-7-18-2)9-11-5-4-10(13(15)16)8-12(11)14/h4-5,8H,3,6-7,9H2,1-2H3,(H3,15,16).
What are the key properties of 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide?
4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide has a molecular weight of 253.32 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methoxyethyl)amino]methyl]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 61446080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).