5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine

C10H15FN2O — CID 61427146

IUPAC5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine
SMILESCOCCN(C)c1cc(N)cc(F)c1
InChIInChI=1S/C10H15FN2O/c1-13(3-4-14-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4,12H2,1-2H3
InChIKeyUZRGPUFRHPKHPU-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.49
Rot. Bonds4

About 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine

5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine (PubChem CID 61427146) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine
PubChem CID61427146
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine
SMILESCOCCN(C)c1cc(N)cc(F)c1
InChIInChI=1S/C10H15FN2O/c1-13(3-4-14-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4,12H2,1-2H3
InChIKeyUZRGPUFRHPKHPU-UHFFFAOYSA-N
XLogP1.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine (CID 61427146) is 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine is COCCN(C)c1cc(N)cc(F)c1.
What is the InChIKey of 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is UZRGPUFRHPKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-13(3-4-14-2)10-6-8(11)5-9(12)7-10/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine?
5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 61427146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).