N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine

C14H15F2NO — CID 113453401

IUPACN-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1C)c1c(F)cccc1F
InChIInChI=1S/C14H15F2NO/c1-3-17-14(10-7-8-18-9(10)2)13-11(15)5-4-6-12(13)16/h4-8,14,17H,3H2,1-2H3
InChIKeyMPFDEFOARRTHIG-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.57
Rot. Bonds4

About N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine

N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine (PubChem CID 113453401) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
PubChem CID113453401
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1ccoc1C)c1c(F)cccc1F
InChIInChI=1S/C14H15F2NO/c1-3-17-14(10-7-8-18-9(10)2)13-11(15)5-4-6-12(13)16/h4-8,14,17H,3H2,1-2H3
InChIKeyMPFDEFOARRTHIG-UHFFFAOYSA-N
XLogP3.57
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(5-fluoro-2-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 113453376
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 115827769
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 106857656
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(3-chloro-2-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 64714724
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N,2-diethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790174

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine (CID 113453401) is N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine is CCNC(c1ccoc1C)c1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
The InChIKey is MPFDEFOARRTHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-3-17-14(10-7-8-18-9(10)2)13-11(15)5-4-6-12(13)16/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine?
N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine has a molecular weight of 251.28 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)-(2-methylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 113453401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).