1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine

C12H15F2NO2 — CID 55120045

IUPAC1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1COCCO1
InChIInChI=1S/C12H15F2NO2/c1-15-12(11-7-16-4-5-17-11)9-3-2-8(13)6-10(9)14/h2-3,6,11-12,15H,4-5,7H2,1H3
InChIKeyQRJAJBMPUOKFSP-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.64
Rot. Bonds3

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

1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (PubChem CID 55120045) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
PubChem CID55120045
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1F)C1COCCO1
InChIInChI=1S/C12H15F2NO2/c1-15-12(11-7-16-4-5-17-11)9-3-2-8(13)6-10(9)14/h2-3,6,11-12,15H,4-5,7H2,1H3
InChIKeyQRJAJBMPUOKFSP-UHFFFAOYSA-N
XLogP1.64
TPSA30.49 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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 55119570
[1,4-dioxan-2-yl-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302410
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
1-(1,4-dioxan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 62800106
1-(2,5-dimethylfuran-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62805801
1-(1,4-dioxan-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291492
1-(1,4-dioxan-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291816
1-(2,5-dichlorothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800274
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 79088954
4-[(2,4-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957014
N-[1,4-dioxan-2-yl-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 55120194
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine (CID 55120045) is 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is CNC(c1ccc(F)cc1F)C1COCCO1.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
The InChIKey is QRJAJBMPUOKFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c1-15-12(11-7-16-4-5-17-11)9-3-2-8(13)6-10(9)14/h2-3,6,11-12,15H,4-5,7H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine?
1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine has a molecular weight of 243.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 55120045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).