N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

C12H16F3N3O — CID 2990720

IUPACN-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(17-9-10)16-3-4-18-5-7-19-8-6-18/h1-2,9H,3-8H2,(H,16,17)
InChIKeyYBIKNIJAZPOKBK-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.84
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2990720) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2990720
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NCCN2CCOCC2)nc1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(17-9-10)16-3-4-18-5-7-19-8-6-18/h1-2,9H,3-8H2,(H,16,17)
InChIKeyYBIKNIJAZPOKBK-UHFFFAOYSA-N
XLogP1.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2990720) is N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NCCN2CCOCC2)nc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YBIKNIJAZPOKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-1-2-11(17-9-10)16-3-4-18-5-7-19-8-6-18/h1-2,9H,3-8H2,(H,16,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 275.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2990720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).