1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine

C13H17F2NO2 — CID 45283478

IUPAC1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESNC(COCC1CCCO1)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c14-9-3-4-12(15)11(6-9)13(16)8-17-7-10-2-1-5-18-10/h3-4,6,10,13H,1-2,5,7-8,16H2
InChIKeyRLCUWIASUYPDHJ-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.16
Rot. Bonds5

About 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine

1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine (PubChem CID 45283478) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
PubChem CID45283478
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
SMILESNC(COCC1CCCO1)c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO2/c14-9-3-4-12(15)11(6-9)13(16)8-17-7-10-2-1-5-18-10/h3-4,6,10,13H,1-2,5,7-8,16H2
InChIKeyRLCUWIASUYPDHJ-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 45283434
2-(cyclohexylmethoxy)-1-(2,5-difluorophenyl)ethanamine
CID 107523541
(1S)-1-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 78937766
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
2-cyclohexyloxy-1-(2,5-difluorophenyl)ethanamine
CID 16793773
2-[3-bromo-3-(2,5-difluorophenyl)propyl]oxolane
CID 65158065
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
5-fluoro-2-[[(2R)-oxolan-2-yl]methoxy]aniline
CID 40822784
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine (CID 45283478) is 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine is NC(COCC1CCCO1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
The InChIKey is RLCUWIASUYPDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-9-3-4-12(15)11(6-9)13(16)8-17-7-10-2-1-5-18-10/h3-4,6,10,13H,1-2,5,7-8,16H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine?
1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine has a molecular weight of 257.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(oxolan-2-ylmethoxy)ethanamine is sourced from PubChem (CID 45283478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).