2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

C20H24F3N3O — CID 43817948

IUPAC2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccc(CN(CCN2CCOCC2)Cc2cccnc2)cc1
InChIInChI=1S/C20H24F3N3O/c21-20(22,23)19-5-3-17(4-6-19)15-26(16-18-2-1-7-24-14-18)9-8-25-10-12-27-13-11-25/h1-7,14H,8-13,15-16H2
InChIKeyYXLRLTVUINATHM-UHFFFAOYSA-N
MW379.43 g/mol
LogP3.43
Rot. Bonds7

About 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43817948) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43817948
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESFC(F)(F)c1ccc(CN(CCN2CCOCC2)Cc2cccnc2)cc1
InChIInChI=1S/C20H24F3N3O/c21-20(22,23)19-5-3-17(4-6-19)15-26(16-18-2-1-7-24-14-18)9-8-25-10-12-27-13-11-25/h1-7,14H,8-13,15-16H2
InChIKeyYXLRLTVUINATHM-UHFFFAOYSA-N
XLogP3.43
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43817948) is 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is FC(F)(F)c1ccc(CN(CCN2CCOCC2)Cc2cccnc2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is YXLRLTVUINATHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c21-20(22,23)19-5-3-17(4-6-19)15-26(16-18-2-1-7-24-14-18)9-8-25-10-12-27-13-11-25/h1-7,14H,8-13,15-16H2.
What are the key properties of 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 379.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43817948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).