4-bromo-2-(3-ethylmorpholin-4-yl)aniline

C12H17BrN2O — CID 65343373

IUPAC4-bromo-2-(3-ethylmorpholin-4-yl)aniline
SMILESCCC1COCCN1c1cc(Br)ccc1N
InChIInChI=1S/C12H17BrN2O/c1-2-10-8-16-6-5-15(10)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,14H2,1H3
InChIKeyZFUORQBWBHBDAT-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.65
Rot. Bonds2

About 4-bromo-2-(3-ethylmorpholin-4-yl)aniline

4-bromo-2-(3-ethylmorpholin-4-yl)aniline (PubChem CID 65343373) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-2-(3-ethylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-(3-ethylmorpholin-4-yl)aniline
PubChem CID65343373
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-2-(3-ethylmorpholin-4-yl)aniline
SMILESCCC1COCCN1c1cc(Br)ccc1N
InChIInChI=1S/C12H17BrN2O/c1-2-10-8-16-6-5-15(10)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,14H2,1H3
InChIKeyZFUORQBWBHBDAT-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.65
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-(3-ethylmorpholin-4-yl)aniline?
The IUPAC name of 4-bromo-2-(3-ethylmorpholin-4-yl)aniline (CID 65343373) is 4-bromo-2-(3-ethylmorpholin-4-yl)aniline.
What is the SMILES notation for 4-bromo-2-(3-ethylmorpholin-4-yl)aniline?
The canonical SMILES for 4-bromo-2-(3-ethylmorpholin-4-yl)aniline is CCC1COCCN1c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(3-ethylmorpholin-4-yl)aniline?
The InChIKey is ZFUORQBWBHBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-10-8-16-6-5-15(10)12-7-9(13)3-4-11(12)14/h3-4,7,10H,2,5-6,8,14H2,1H3.
What are the key properties of 4-bromo-2-(3-ethylmorpholin-4-yl)aniline?
4-bromo-2-(3-ethylmorpholin-4-yl)aniline has a molecular weight of 285.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-ethylmorpholin-4-yl)aniline is sourced from PubChem (CID 65343373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).