2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine

C16H26N2O2 — CID 43592587

IUPAC2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-4-19-14-7-5-13(6-8-14)15(11-17)18-9-10-20-16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyVLURVTMRUJJTLR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds5

About 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine

2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine (PubChem CID 43592587) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
PubChem CID43592587
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine
SMILESCCOc1ccc(C(CN)N2CCOC(C)(C)C2)cc1
InChIInChI=1S/C16H26N2O2/c1-4-19-14-7-5-13(6-8-14)15(11-17)18-9-10-20-16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3
InChIKeyVLURVTMRUJJTLR-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine (CID 43592587) is 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine is CCOc1ccc(C(CN)N2CCOC(C)(C)C2)cc1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine?
The InChIKey is VLURVTMRUJJTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-19-14-7-5-13(6-8-14)15(11-17)18-9-10-20-16(2,3)12-18/h5-8,15H,4,9-12,17H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine?
2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanamine is sourced from PubChem (CID 43592587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).