2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

C15H22BrClN2O — CID 83230609

IUPAC2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)c(Br)c2)CC(C)(C)O1
InChIInChI=1S/C15H22BrClN2O/c1-10-8-19(9-15(2,3)20-10)14(7-18)11-4-5-13(17)12(16)6-11/h4-6,10,14H,7-9,18H2,1-3H3
InChIKeyHBBKNTIMOVLFNL-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine

2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (PubChem CID 83230609) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
PubChem CID83230609
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)c(Br)c2)CC(C)(C)O1
InChIInChI=1S/C15H22BrClN2O/c1-10-8-19(9-15(2,3)20-10)14(7-18)11-4-5-13(17)12(16)6-11/h4-6,10,14H,7-9,18H2,1-3H3
InChIKeyHBBKNTIMOVLFNL-UHFFFAOYSA-N
XLogP3.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine (CID 83230609) is 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is CC1CN(C(CN)c2ccc(Cl)c(Br)c2)CC(C)(C)O1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
The InChIKey is HBBKNTIMOVLFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-10-8-19(9-15(2,3)20-10)14(7-18)11-4-5-13(17)12(16)6-11/h4-6,10,14H,7-9,18H2,1-3H3.
What are the key properties of 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine?
2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine has a molecular weight of 361.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 83230609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).