1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine

C13H13F2NO2 — CID 63036465

IUPAC1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO2/c1-16-7-9-5-6-10(18-9)8-17-12-4-2-3-11(14)13(12)15/h2-6,16H,7-8H2,1H3
InChIKeyXBTRQTMNZGWMEY-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.86
Rot. Bonds5

About 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine

1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine (PubChem CID 63036465) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
PubChem CID63036465
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(COc2cccc(F)c2F)o1
InChIInChI=1S/C13H13F2NO2/c1-16-7-9-5-6-10(18-9)8-17-12-4-2-3-11(14)13(12)15/h2-6,16H,7-8H2,1H3
InChIKeyXBTRQTMNZGWMEY-UHFFFAOYSA-N
XLogP2.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine (CID 63036465) is 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine is CNCc1ccc(COc2cccc(F)c2F)o1.
What is the InChIKey of 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is XBTRQTMNZGWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-16-7-9-5-6-10(18-9)8-17-12-4-2-3-11(14)13(12)15/h2-6,16H,7-8H2,1H3.
What are the key properties of 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine?
1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 253.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2,3-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63036465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).