2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine

C14H15F2NO2 — CID 119124887

IUPAC2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOc2ccc(F)c(F)c2)o1
InChIInChI=1S/C14H15F2NO2/c1-10-2-3-12(19-10)9-17-6-7-18-11-4-5-13(15)14(16)8-11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyGLJYRIWZIZNDGJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.03
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine

2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 119124887) has the molecular formula C14H15F2NO2 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID119124887
Molecular FormulaC14H15F2NO2
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOc2ccc(F)c(F)c2)o1
InChIInChI=1S/C14H15F2NO2/c1-10-2-3-12(19-10)9-17-6-7-18-11-4-5-13(15)14(16)8-11/h2-5,8,17H,6-7,9H2,1H3
InChIKeyGLJYRIWZIZNDGJ-UHFFFAOYSA-N
XLogP3.03
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 61069035
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 59053598
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 103080992
2-(3,4-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 62598927
2-(3-fluoro-4-methylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 107170989
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
N-[2-(3,4-difluorophenoxy)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133372468
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 119124887) is 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNCCOc2ccc(F)c(F)c2)o1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is GLJYRIWZIZNDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-10-2-3-12(19-10)9-17-6-7-18-11-4-5-13(15)14(16)8-11/h2-5,8,17H,6-7,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 267.28 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 119124887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).