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

C12H16BrFN2O — CID 116735520

IUPAC4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
SMILESCCC1CN(c2cc(Br)c(F)cc2N)CCO1
InChIInChI=1S/C12H16BrFN2O/c1-2-8-7-16(3-4-17-8)12-5-9(13)10(14)6-11(12)15/h5-6,8H,2-4,7,15H2,1H3
InChIKeyCDZVXMOQXFBSNC-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.79
Rot. Bonds2

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

4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline (PubChem CID 116735520) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
PubChem CID116735520
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline
SMILESCCC1CN(c2cc(Br)c(F)cc2N)CCO1
InChIInChI=1S/C12H16BrFN2O/c1-2-8-7-16(3-4-17-8)12-5-9(13)10(14)6-11(12)15/h5-6,8H,2-4,7,15H2,1H3
InChIKeyCDZVXMOQXFBSNC-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

5-bromo-2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 66110707
2-(2-ethylmorpholin-4-yl)-4-fluoroaniline
CID 62377461
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
4-bromo-5-fluoro-2-(3-propylpyrrolidin-1-yl)aniline
CID 116736254
4-(5-bromo-3-fluoro-2-pyridinyl)-2-ethylmorpholine
CID 104918840
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
1-(2-amino-5-bromo-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667362
methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
CID 61306954
(1S)-1-[4-(2-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939704
4-bromo-5-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 116735269

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline?
The IUPAC name of 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline (CID 116735520) is 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline.
What is the SMILES notation for 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline?
The canonical SMILES for 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline is CCC1CN(c2cc(Br)c(F)cc2N)CCO1.
What is the InChIKey of 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline?
The InChIKey is CDZVXMOQXFBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-2-8-7-16(3-4-17-8)12-5-9(13)10(14)6-11(12)15/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline?
4-bromo-2-(2-ethylmorpholin-4-yl)-5-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 4-bromo-2-(2-ethylmorpholin-4-yl)-5-fluoroaniline is sourced from PubChem (CID 116735520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).