N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine

C14H18F3NO2 — CID 63099009

IUPACN-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
SMILESFC(F)(F)c1cccc(OCCNC2CCOCC2)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)11-2-1-3-13(10-11)20-9-6-18-12-4-7-19-8-5-12/h1-3,10,12,18H,4-9H2
InChIKeyJJSYUYWBTNJASJ-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.85
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine

N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine (PubChem CID 63099009) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
PubChem CID63099009
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
SMILESFC(F)(F)c1cccc(OCCNC2CCOCC2)c1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)11-2-1-3-13(10-11)20-9-6-18-12-4-7-19-8-5-12/h1-3,10,12,18H,4-9H2
InChIKeyJJSYUYWBTNJASJ-UHFFFAOYSA-N
XLogP2.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.85
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-[3-(dimethylamino)phenoxy]ethyl]oxan-4-amine
CID 63099181
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-(4-tert-butylphenoxy)ethyl]oxan-4-amine
CID 63099175
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
2-morpholin-3-yl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentan-1-amine
CID 120914273
2-methyl-1-[3-(oxan-4-ylmethoxy)propyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111643590
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]oxan-4-amine
CID 63100210
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659
N-[3-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine (CID 63099009) is N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine is FC(F)(F)c1cccc(OCCNC2CCOCC2)c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine?
The InChIKey is JJSYUYWBTNJASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)11-2-1-3-13(10-11)20-9-6-18-12-4-7-19-8-5-12/h1-3,10,12,18H,4-9H2.
What are the key properties of N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine?
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine has a molecular weight of 289.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine is sourced from PubChem (CID 63099009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).