4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline

C10H14BrFN2O — CID 67238021

IUPAC4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline
SMILESCN(C)CCOc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O/c1-14(2)3-4-15-10-5-7(11)8(12)6-9(10)13/h5-6H,3-4,13H2,1-2H3
InChIKeyLBGIIPWWCNJLLL-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.11
Rot. Bonds4

About 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline

4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline (PubChem CID 67238021) has the molecular formula C10H14BrFN2O and a molecular weight of 277.14 g/mol. Its IUPAC name is 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline
PubChem CID67238021
Molecular FormulaC10H14BrFN2O
Molecular Weight277.14 g/mol
Exact Mass276.03
IUPAC Name4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline
SMILESCN(C)CCOc1cc(Br)c(F)cc1N
InChIInChI=1S/C10H14BrFN2O/c1-14(2)3-4-15-10-5-7(11)8(12)6-9(10)13/h5-6H,3-4,13H2,1-2H3
InChIKeyLBGIIPWWCNJLLL-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.11
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 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline?
The IUPAC name of 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline (CID 67238021) is 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline.
What is the SMILES notation for 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline?
The canonical SMILES for 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline is CN(C)CCOc1cc(Br)c(F)cc1N.
What is the InChIKey of 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline?
The InChIKey is LBGIIPWWCNJLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O/c1-14(2)3-4-15-10-5-7(11)8(12)6-9(10)13/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline?
4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline has a molecular weight of 277.14 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(dimethylamino)ethoxy]-5-fluoroaniline is sourced from PubChem (CID 67238021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).