N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine

C15H18FNO2 — CID 107456817

IUPACN-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COCc2ccco2)c1
InChIInChI=1S/C15H18FNO2/c1-2-17-9-12-5-6-15(16)13(8-12)10-18-11-14-4-3-7-19-14/h3-8,17H,2,9-11H2,1H3
InChIKeyOPWOPWHZQLYQJA-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.24
Rot. Bonds7

About N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine (PubChem CID 107456817) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
PubChem CID107456817
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COCc2ccco2)c1
InChIInChI=1S/C15H18FNO2/c1-2-17-9-12-5-6-15(16)13(8-12)10-18-11-14-4-3-7-19-14/h3-8,17H,2,9-11H2,1H3
InChIKeyOPWOPWHZQLYQJA-UHFFFAOYSA-N
XLogP3.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-chlorophenyl)methoxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457759
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
2-[(2-fluorophenyl)methoxymethyl]furan
CID 70570025
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
N-[[3-bromo-4-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 102772323
2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 84753814
N-[[3-[(4-ethylphenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457309
N-[[3-[(3,5-dichlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457585
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine (CID 107456817) is N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(COCc2ccco2)c1.
What is the InChIKey of N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is OPWOPWHZQLYQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-17-9-12-5-6-15(16)13(8-12)10-18-11-14-4-3-7-19-14/h3-8,17H,2,9-11H2,1H3.
What are the key properties of N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 263.31 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(furan-2-ylmethoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 107456817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).