2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine

C12H15F2NO2 — CID 65350986

IUPAC2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)C1COCCO1
InChIInChI=1S/C12H15F2NO2/c13-9-1-2-10(14)8(5-9)6-11(15)12-7-16-3-4-17-12/h1-2,5,11-12H,3-4,6-7,15H2
InChIKeyYCWMIFNPDZPCCW-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.25
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine

2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine (PubChem CID 65350986) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
PubChem CID65350986
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)C1COCCO1
InChIInChI=1S/C12H15F2NO2/c13-9-1-2-10(14)8(5-9)6-11(15)12-7-16-3-4-17-12/h1-2,5,11-12H,3-4,6-7,15H2
InChIKeyYCWMIFNPDZPCCW-UHFFFAOYSA-N
XLogP1.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
2-(2,5-difluorophenyl)-1-(3-methyloxan-4-yl)ethanamine
CID 114241906
2-(3-bromo-2,6-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 114167013
1-(1,4-dioxan-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65351095
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
2-(2,3-dichlorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 107312027
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)ethanamine
CID 105031399
2-(5-fluoro-2-methylphenyl)-1-(oxan-2-yl)ethanamine
CID 105377396
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005
1,4-dioxan-2-yl-(3-fluorophenyl)methanamine
CID 65351089

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine (CID 65350986) is 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine is NC(Cc1cc(F)ccc1F)C1COCCO1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
The InChIKey is YCWMIFNPDZPCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-9-1-2-10(14)8(5-9)6-11(15)12-7-16-3-4-17-12/h1-2,5,11-12H,3-4,6-7,15H2.
What are the key properties of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine has a molecular weight of 243.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine is sourced from PubChem (CID 65350986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).