2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine

C15H22Cl2N2O — CID 61424175

IUPAC2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
SMILESCCC1COC(C)CN1C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-14-9-20-10(2)8-19(14)15(7-18)11-4-12(16)6-13(17)5-11/h4-6,10,14-15H,3,7-9,18H2,1-2H3
InChIKeyKIWQLVFBHFVAFI-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.49
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine

2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine (PubChem CID 61424175) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
PubChem CID61424175
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
SMILESCCC1COC(C)CN1C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-3-14-9-20-10(2)8-19(14)15(7-18)11-4-12(16)6-13(17)5-11/h4-6,10,14-15H,3,7-9,18H2,1-2H3
InChIKeyKIWQLVFBHFVAFI-UHFFFAOYSA-N
XLogP3.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine (CID 61424175) is 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine is CCC1COC(C)CN1C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
The InChIKey is KIWQLVFBHFVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-3-14-9-20-10(2)8-19(14)15(7-18)11-4-12(16)6-13(17)5-11/h4-6,10,14-15H,3,7-9,18H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine has a molecular weight of 317.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 61424175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).