N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine

C14H23FN2O — CID 112608835

IUPACN,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1c(F)cccc1CNC
InChIInChI=1S/C14H23FN2O/c1-4-17(5-2)9-10-18-14-12(11-16-3)7-6-8-13(14)15/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyYCIBEDKAKLHFOW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.27
Rot. Bonds8

About N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine

N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine (PubChem CID 112608835) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
PubChem CID112608835
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC NameN,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1c(F)cccc1CNC
InChIInChI=1S/C14H23FN2O/c1-4-17(5-2)9-10-18-14-12(11-16-3)7-6-8-13(14)15/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyYCIBEDKAKLHFOW-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 115955301
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
1-[3-fluoro-2-(2-propan-2-yloxyethoxy)phenyl]-N-methylmethanamine
CID 112608765
N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 112608901
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 115952490
1-[3-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]-N-methylmethanamine
CID 112608841
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 112608937
2-[1-[[2-fluoro-6-(methylaminomethyl)phenoxy]methyl]cyclopropyl]acetonitrile
CID 112608780
N-[[3-bromo-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390561

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine (CID 112608835) is N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine is CCN(CC)CCOc1c(F)cccc1CNC.
What is the InChIKey of N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine?
The InChIKey is YCIBEDKAKLHFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-4-17(5-2)9-10-18-14-12(11-16-3)7-6-8-13(14)15/h6-8,16H,4-5,9-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine?
N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine has a molecular weight of 254.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine is sourced from PubChem (CID 112608835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).