5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide

C10H14FN3O — CID 63669341

IUPAC5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1NCCOC
InChIInChI=1S/C10H14FN3O/c1-15-5-4-14-9-3-2-7(11)6-8(9)10(12)13/h2-3,6,14H,4-5H2,1H3,(H3,12,13)
InChIKeyXRQOKQLCUAQANO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.17
Rot. Bonds5

About 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide

5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide (PubChem CID 63669341) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
PubChem CID63669341
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1NCCOC
InChIInChI=1S/C10H14FN3O/c1-15-5-4-14-9-3-2-7(11)6-8(9)10(12)13/h2-3,6,14H,4-5H2,1H3,(H3,12,13)
InChIKeyXRQOKQLCUAQANO-UHFFFAOYSA-N
XLogP1.17
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-fluoro-2-[2-(2-methoxyethoxy)ethylamino]benzenecarbothioamide
CID 63672707
3-chloro-4-(2-methoxyethylamino)benzenecarboximidamide
CID 63089058
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 104562366
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
2-(2-ethoxyethylsulfonylamino)-5-fluorobenzenecarboximidamide
CID 82685131
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
1-(2-carbamimidoyl-4-fluorophenyl)-3-ethylurea
CID 82685806
2-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)aniline
CID 95441473
1-butyl-3-(2-carbamimidoyl-4-fluorophenyl)urea
CID 82684483
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967
2-(2-carbamothioyl-4-fluoroanilino)ethyl carbamate
CID 83205178
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide (CID 63669341) is 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1NCCOC.
What is the InChIKey of 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide?
The InChIKey is XRQOKQLCUAQANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-15-5-4-14-9-3-2-7(11)6-8(9)10(12)13/h2-3,6,14H,4-5H2,1H3,(H3,12,13).
What are the key properties of 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide?
5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide has a molecular weight of 211.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethylamino)benzenecarboximidamide is sourced from PubChem (CID 63669341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).