2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine

C14H20BrClN2O — CID 66155442

IUPAC2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Cl)ccc2Br)C(C)CO1
InChIInChI=1S/C14H20BrClN2O/c1-9-8-19-10(2)7-18(9)14(6-17)12-5-11(16)3-4-13(12)15/h3-5,9-10,14H,6-8,17H2,1-2H3
InChIKeyRXTWGTTZCGAHOL-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.21
Rot. Bonds3

About 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine

2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine (PubChem CID 66155442) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine
PubChem CID66155442
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2cc(Cl)ccc2Br)C(C)CO1
InChIInChI=1S/C14H20BrClN2O/c1-9-8-19-10(2)7-18(9)14(6-17)12-5-11(16)3-4-13(12)15/h3-5,9-10,14H,6-8,17H2,1-2H3
InChIKeyRXTWGTTZCGAHOL-UHFFFAOYSA-N
XLogP3.21
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine (CID 66155442) is 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine is CC1CN(C(CN)c2cc(Cl)ccc2Br)C(C)CO1.
What is the InChIKey of 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is RXTWGTTZCGAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-9-8-19-10(2)7-18(9)14(6-17)12-5-11(16)3-4-13(12)15/h3-5,9-10,14H,6-8,17H2,1-2H3.
What are the key properties of 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine?
2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 347.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chlorophenyl)-2-(2,5-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 66155442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).