1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine

C10H18F3NO2 — CID 103271280

IUPAC1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESCC(NCCOC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO2/c1-8(9-2-5-15-6-3-9)14-4-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyAKKJIAFIYAXHNO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds5

About 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine

1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (PubChem CID 103271280) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
PubChem CID103271280
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
SMILESCC(NCCOC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H18F3NO2/c1-8(9-2-5-15-6-3-9)14-4-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyAKKJIAFIYAXHNO-UHFFFAOYSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
(1R)-N-[2-(4-chlorophenoxy)ethyl]-1-(oxan-4-yl)ethanamine
CID 97230820
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
2,2-dimethyl-4-[1-(oxan-4-yl)ethylamino]butanenitrile
CID 103925508
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
1-cyclopentyl-N-(2-methoxyethyl)ethanamine
CID 62633494
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine (CID 103271280) is 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is CC(NCCOC(F)(F)F)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
The InChIKey is AKKJIAFIYAXHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8(9-2-5-15-6-3-9)14-4-7-16-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine?
1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine has a molecular weight of 241.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine is sourced from PubChem (CID 103271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).