1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine

C13H13F2NO2 — CID 62450544

IUPAC1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1coc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C13H13F2NO2/c1-16-6-9-4-11(17-7-9)8-18-13-3-2-10(14)5-12(13)15/h2-5,7,16H,6,8H2,1H3
InChIKeyPLNNXAYRTMRGQG-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.86
Rot. Bonds5

About 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine

1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine (PubChem CID 62450544) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
PubChem CID62450544
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
SMILESCNCc1coc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C13H13F2NO2/c1-16-6-9-4-11(17-7-9)8-18-13-3-2-10(14)5-12(13)15/h2-5,7,16H,6,8H2,1H3
InChIKeyPLNNXAYRTMRGQG-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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Related Compounds

1-[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62450192
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62485139
1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107668479
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
CID 62453127
(E)-4-(2,4-difluorophenoxy)-N-methylbut-2-en-1-amine
CID 112547474
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine (CID 62450544) is 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine is CNCc1coc(COc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine?
The InChIKey is PLNNXAYRTMRGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-16-6-9-4-11(17-7-9)8-18-13-3-2-10(14)5-12(13)15/h2-5,7,16H,6,8H2,1H3.
What are the key properties of 1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine?
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-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-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62450544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).