2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine

C10H15F2NO2 — CID 103080992

IUPAC2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOCC(F)F)o1
InChIInChI=1S/C10H15F2NO2/c1-8-2-3-9(15-8)6-13-4-5-14-7-10(11)12/h2-3,10,13H,4-7H2,1H3
InChIKeyUKJLLDIPMSOEQC-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.96
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine

2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 103080992) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID103080992
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCOCC(F)F)o1
InChIInChI=1S/C10H15F2NO2/c1-8-2-3-9(15-8)6-13-4-5-14-7-10(11)12/h2-3,10,13H,4-7H2,1H3
InChIKeyUKJLLDIPMSOEQC-UHFFFAOYSA-N
XLogP1.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 103081047
2-(2,2-difluoroethoxy)-N-[(2-methylphenyl)methyl]ethanamine
CID 103081199
2-(3,4-difluorophenoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119124887
N-[(5-bromothiophen-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081262
2-(2,2-difluoroethoxy)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 103081275
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-(1-fluoronaphthalen-2-yl)oxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 59053598
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine (CID 103080992) is 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine is Cc1ccc(CNCCOCC(F)F)o1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is UKJLLDIPMSOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-8-2-3-9(15-8)6-13-4-5-14-7-10(11)12/h2-3,10,13H,4-7H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 219.23 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 103080992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).