2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

C13H17F2NO2 — CID 65352627

IUPAC2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)C1COCCO1
InChIInChI=1S/C13H17F2NO2/c1-16-12(13-8-17-4-5-18-13)7-9-6-10(14)2-3-11(9)15/h2-3,6,12-13,16H,4-5,7-8H2,1H3
InChIKeyYQKJBSRDNHJSRN-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.51
Rot. Bonds4

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

2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (PubChem CID 65352627) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
PubChem CID65352627
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)C1COCCO1
InChIInChI=1S/C13H17F2NO2/c1-16-12(13-8-17-4-5-18-13)7-9-6-10(14)2-3-11(9)15/h2-3,6,12-13,16H,4-5,7-8H2,1H3
InChIKeyYQKJBSRDNHJSRN-UHFFFAOYSA-N
XLogP1.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)ethanamine
CID 65350986
2-(5-chloro-2-methoxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352823
2-(2,5-difluorophenyl)-N-methyl-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79664038
N-[2-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65353005
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 55120045
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
2-(2,5-difluorophenyl)-N-ethyl-1-(oxan-2-yl)ethanamine
CID 115809974
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
N-[2-(2-chloro-4-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352793
1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65352414

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (CID 65352627) is 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)C1COCCO1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The InChIKey is YQKJBSRDNHJSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-16-12(13-8-17-4-5-18-13)7-9-6-10(14)2-3-11(9)15/h2-3,6,12-13,16H,4-5,7-8H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine has a molecular weight of 257.28 g/mol, XLogP of 1.51, 4 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)-N-methylethanamine is sourced from PubChem (CID 65352627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).