(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2O — CID 30049408

IUPAC(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1
InChIInChI=1S/C15H21F3N2O/c1-10-8-20(9-11(2)21-10)14(7-19)12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,14H,7-9,19H2,1-2H3/t10-,11-,14+/m1/s1
InChIKeyRIFUGEVYTBABST-GYSYKLTISA-N
MW302.34 g/mol
LogP2.81
Rot. Bonds3

About (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine

(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 30049408) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID30049408
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1
InChIInChI=1S/C15H21F3N2O/c1-10-8-20(9-11(2)21-10)14(7-19)12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,14H,7-9,19H2,1-2H3/t10-,11-,14+/m1/s1
InChIKeyRIFUGEVYTBABST-GYSYKLTISA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 30049408) is (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is C[C@@H]1CN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is RIFUGEVYTBABST-GYSYKLTISA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10-8-20(9-11(2)21-10)14(7-19)12-3-5-13(6-4-12)15(16,17)18/h3-6,10-11,14H,7-9,19H2,1-2H3/t10-,11-,14+/m1/s1.
What are the key properties of (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine?
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 30049408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).