N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C13H18F3N3O — CID 115619054

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCOC(CNc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-2-19-6-7-20-10(9-19)8-17-12-5-3-4-11(18-12)13(14,15)16/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyXYLDXFMYANLFLX-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.23
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 115619054) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID115619054
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCCN1CCOC(CNc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-2-19-6-7-20-10(9-19)8-17-12-5-3-4-11(18-12)13(14,15)16/h3-5,10H,2,6-9H2,1H3,(H,17,18)
InChIKeyXYLDXFMYANLFLX-UHFFFAOYSA-N
XLogP2.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholine-4-carboxylate
CID 90966020
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]quinoxalin-2-amine
CID 95319257
4-N-[(4-ethylmorpholin-2-yl)methyl]pyrimidine-2,4-diamine
CID 114401447
4-N-[(4-ethylmorpholin-2-yl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115643858
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204537
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
N-[(4-ethylmorpholin-2-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253529
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133399659

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 115619054) is N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is CCN1CCOC(CNc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XYLDXFMYANLFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-19-6-7-20-10(9-19)8-17-12-5-3-4-11(18-12)13(14,15)16/h3-5,10H,2,6-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115619054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).