2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2O — CID 61429560

IUPAC2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC1(C)COCCN1C(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-14(2)10-21-8-7-20(14)13(9-19)11-5-3-4-6-12(11)15(16,17)18/h3-6,13H,7-10,19H2,1-2H3
InChIKeyHCHWLFJDQZNCKJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds3

About 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine

2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 61429560) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID61429560
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC1(C)COCCN1C(CN)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-14(2)10-21-8-7-20(14)13(9-19)11-5-3-4-6-12(11)15(16,17)18/h3-6,13H,7-10,19H2,1-2H3
InChIKeyHCHWLFJDQZNCKJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine (CID 61429560) is 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine is CC1(C)COCCN1C(CN)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is HCHWLFJDQZNCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(2)10-21-8-7-20(14)13(9-19)11-5-3-4-6-12(11)15(16,17)18/h3-6,13H,7-10,19H2,1-2H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 61429560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).