2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C13H18F3N3O — CID 121378982

IUPAC2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESFC(F)(F)c1cccnc1CNCCN1CCOCC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)11-2-1-3-18-12(11)10-17-4-5-19-6-8-20-9-7-19/h1-3,17H,4-10H2
InChIKeyDNUNXUZVKXCDCI-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.52
Rot. Bonds5

About 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 121378982) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID121378982
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESFC(F)(F)c1cccnc1CNCCN1CCOCC1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)11-2-1-3-18-12(11)10-17-4-5-19-6-8-20-9-7-19/h1-3,17H,4-10H2
InChIKeyDNUNXUZVKXCDCI-UHFFFAOYSA-N
XLogP1.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
N-[(1-methylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 43088095
2-morpholin-4-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43764194
N-[(1-ethylimidazol-2-yl)methyl]-2-morpholin-4-ylethanamine
CID 46784360
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
6-methyl-2-[(2-morpholin-4-ylethylamino)methyl]pyridin-3-ol
CID 78928592
4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
CID 115513486
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
2-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 60663033
N-[6-[3-(2-morpholin-4-ylethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 10052597
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 121378982) is 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is FC(F)(F)c1cccnc1CNCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DNUNXUZVKXCDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)11-2-1-3-18-12(11)10-17-4-5-19-6-8-20-9-7-19/h1-3,17H,4-10H2.
What are the key properties of 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 289.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 121378982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).