N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine

C15H18FNO2 — CID 43284973

IUPACN-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2ccco2)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-3-17-11(2)12-6-7-15(14(16)9-12)19-10-13-5-4-8-18-13/h4-9,11,17H,3,10H2,1-2H3
InChIKeyVDBHWGUXWIQAFV-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine

N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine (PubChem CID 43284973) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
PubChem CID43284973
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCc2ccco2)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-3-17-11(2)12-6-7-15(14(16)9-12)19-10-13-5-4-8-18-13/h4-9,11,17H,3,10H2,1-2H3
InChIKeyVDBHWGUXWIQAFV-UHFFFAOYSA-N
XLogP3.67
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
CID 24704421
N-ethyl-1-[3-fluoro-4-(3-methylbutoxy)phenyl]ethanamine
CID 43285081
2-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]ethanol
CID 43284900
N-ethyl-1-[3-fluoro-4-(2-methoxyethoxy)phenyl]ethanamine
CID 43285227
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
N-ethyl-1-[3-fluoro-4-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722508
N-ethyl-1-[3-fluoro-4-(2-methylphenoxy)phenyl]ethanamine
CID 43285513
3-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]butan-2-ol
CID 113389475
N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide
CID 168652630
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan
CID 59709312
(1S)-1-[3-chloro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 78937702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine (CID 43284973) is N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine is CCNC(C)c1ccc(OCc2ccco2)c(F)c1.
What is the InChIKey of N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is VDBHWGUXWIQAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-17-11(2)12-6-7-15(14(16)9-12)19-10-13-5-4-8-18-13/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine?
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 263.31 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 43284973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).