5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline

C12H16BrFN2O — CID 66110707

IUPAC5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
SMILESCCC1CN(c2cc(F)c(Br)cc2N)CCO1
InChIInChI=1S/C12H16BrFN2O/c1-2-8-7-16(3-4-17-8)12-6-10(14)9(13)5-11(12)15/h5-6,8H,2-4,7,15H2,1H3
InChIKeyIUISTKMWEJLLKL-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.79
Rot. Bonds2

About 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline

5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline (PubChem CID 66110707) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
PubChem CID66110707
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
SMILESCCC1CN(c2cc(F)c(Br)cc2N)CCO1
InChIInChI=1S/C12H16BrFN2O/c1-2-8-7-16(3-4-17-8)12-6-10(14)9(13)5-11(12)15/h5-6,8H,2-4,7,15H2,1H3
InChIKeyIUISTKMWEJLLKL-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
CID 116735520
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
5-bromo-2-(2,6-dimethylmorpholin-4-yl)-4-fluoroaniline
CID 66110674
2-(2-ethylmorpholin-4-yl)-5-fluorobenzaldehyde
CID 43562829
3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
CID 106949057
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
CID 61306954
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
4-(2-ethylmorpholin-4-yl)-3-fluorobenzenecarboximidamide
CID 43658320

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline (CID 66110707) is 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline is CCC1CN(c2cc(F)c(Br)cc2N)CCO1.
What is the InChIKey of 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
The InChIKey is IUISTKMWEJLLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-8-7-16(3-4-17-8)12-6-10(14)9(13)5-11(12)15/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline?
5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline has a molecular weight of 303.17 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline is sourced from PubChem (CID 66110707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).