2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine

C14H21BrN2O — CID 63782402

IUPAC2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine
SMILESCCC1COCCN1c1cc(Br)ccc1CCN
InChIInChI=1S/C14H21BrN2O/c1-2-13-10-18-8-7-17(13)14-9-12(15)4-3-11(14)5-6-16/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyXYXQQSWTVXKSFV-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.57
Rot. Bonds4

About 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine

2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 63782402) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine
PubChem CID63782402
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine
SMILESCCC1COCCN1c1cc(Br)ccc1CCN
InChIInChI=1S/C14H21BrN2O/c1-2-13-10-18-8-7-17(13)14-9-12(15)4-3-11(14)5-6-16/h3-4,9,13H,2,5-8,10,16H2,1H3
InChIKeyXYXQQSWTVXKSFV-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine (CID 63782402) is 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine is CCC1COCCN1c1cc(Br)ccc1CCN.
What is the InChIKey of 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is XYXQQSWTVXKSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-13-10-18-8-7-17(13)14-9-12(15)4-3-11(14)5-6-16/h3-4,9,13H,2,5-8,10,16H2,1H3.
What are the key properties of 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine?
2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(3-ethylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 63782402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).