1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine

C12H15F2NO2 — CID 103546759

IUPAC1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
SMILESCNC(CC1OCCO1)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-15-10(7-11-16-5-6-17-11)12-8(13)3-2-4-9(12)14/h2-4,10-11,15H,5-7H2,1H3
InChIKeyHHRCYDQQDZQLKB-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine

1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine (PubChem CID 103546759) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
PubChem CID103546759
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
SMILESCNC(CC1OCCO1)c1c(F)cccc1F
InChIInChI=1S/C12H15F2NO2/c1-15-10(7-11-16-5-6-17-11)12-8(13)3-2-4-9(12)14/h2-4,10-11,15H,5-7H2,1H3
InChIKeyHHRCYDQQDZQLKB-UHFFFAOYSA-N
XLogP1.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 103547010
3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236427
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
1-(2,5-dichlorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103546664
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 103546964
2-(1,3-dioxolan-2-yl)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 103546700
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902
N-[(2,6-difluorophenyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352954
2-(1,3-dioxolan-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 103546459
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
1-(2,6-difluorophenyl)-N-methyloctan-1-amine
CID 79523217

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine (CID 103546759) is 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine is CNC(CC1OCCO1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
The InChIKey is HHRCYDQQDZQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-15-10(7-11-16-5-6-17-11)12-8(13)3-2-4-9(12)14/h2-4,10-11,15H,5-7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine?
1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine has a molecular weight of 243.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine is sourced from PubChem (CID 103546759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).