[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine

C11H14F3N3O — CID 61336427

IUPAC[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccc(C(F)(F)F)cn2)CCO1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-1-2-10(16-6-8)17-3-4-18-9(5-15)7-17/h1-2,6,9H,3-5,7,15H2
InChIKeyIRQYEMHPPGTKBD-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.26
Rot. Bonds2

About [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine

[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine (PubChem CID 61336427) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
PubChem CID61336427
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine
SMILESNCC1CN(c2ccc(C(F)(F)F)cn2)CCO1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-1-2-10(16-6-8)17-3-4-18-9(5-15)7-17/h1-2,6,9H,3-5,7,15H2
InChIKeyIRQYEMHPPGTKBD-UHFFFAOYSA-N
XLogP1.26
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine (CID 61336427) is [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine is NCC1CN(c2ccc(C(F)(F)F)cn2)CCO1.
What is the InChIKey of [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
The InChIKey is IRQYEMHPPGTKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-1-2-10(16-6-8)17-3-4-18-9(5-15)7-17/h1-2,6,9H,3-5,7,15H2.
What are the key properties of [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine?
[4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine has a molecular weight of 261.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 61336427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).