2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine

C14H16FNO2 — CID 115829621

IUPAC2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(C)o2)cc1F
InChIInChI=1S/C14H16FNO2/c1-9-3-5-14(18-9)12(16)8-10-4-6-13(17-2)11(15)7-10/h3-7,12H,8,16H2,1-2H3
InChIKeySHMREOWZNPUECA-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine

2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 115829621) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
PubChem CID115829621
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCOc1ccc(CC(N)c2ccc(C)o2)cc1F
InChIInChI=1S/C14H16FNO2/c1-9-3-5-14(18-9)12(16)8-10-4-6-13(17-2)11(15)7-10/h3-7,12H,8,16H2,1-2H3
InChIKeySHMREOWZNPUECA-UHFFFAOYSA-N
XLogP2.98
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115829866
2-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)ethanamine
CID 62602782
3-(3-fluoro-4-methoxyphenyl)-1,1-dimethoxypropan-2-amine
CID 79493441
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(4,5-dimethylthiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829855
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115829883
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
1-(4-bromo-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829625
1-(2,5-dimethylfuran-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782163
2-(3-fluoro-4-methoxyphenyl)-1-(3-methoxyphenyl)ethanamine
CID 62607710
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105122098
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine (CID 115829621) is 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine is COc1ccc(CC(N)c2ccc(C)o2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is SHMREOWZNPUECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-3-5-14(18-9)12(16)8-10-4-6-13(17-2)11(15)7-10/h3-7,12H,8,16H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine?
2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 249.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115829621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).