1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine

C14H16FNO2 — CID 24704421

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccco2)cc1F
InChIInChI=1S/C14H16FNO2/c1-10(16-9-12-4-3-7-18-12)11-5-6-14(17-2)13(15)8-11/h3-8,10,16H,9H2,1-2H3
InChIKeyJLFOFACTDFAWHK-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.28
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine

1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 24704421) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID24704421
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine
SMILESCOc1ccc(C(C)NCc2ccco2)cc1F
InChIInChI=1S/C14H16FNO2/c1-10(16-9-12-4-3-7-18-12)11-5-6-14(17-2)13(15)8-11/h3-8,10,16H,9H2,1-2H3
InChIKeyJLFOFACTDFAWHK-UHFFFAOYSA-N
XLogP3.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.28
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
N-(furan-2-ylmethyl)-1-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 43514878
1-(3-fluoro-4-methoxyphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112510911
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
N-ethyl-1-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]ethanamine
CID 43284973
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402570
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
1-(3-fluoro-4-methoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47010201
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine (CID 24704421) is 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine is COc1ccc(C(C)NCc2ccco2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is JLFOFACTDFAWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10(16-9-12-4-3-7-18-12)11-5-6-14(17-2)13(15)8-11/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 249.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 24704421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).