1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine

C16H20FNO — CID 61065242

IUPAC1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1cc(C)oc1C
InChIInChI=1S/C16H20FNO/c1-4-18-16(14-9-11(2)19-12(14)3)10-13-7-5-6-8-15(13)17/h5-9,16,18H,4,10H2,1-3H3
InChIKeyHXLMUUXHAHMLNX-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.93
Rot. Bonds5

About 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine

1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine (PubChem CID 61065242) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
PubChem CID61065242
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1ccccc1F)c1cc(C)oc1C
InChIInChI=1S/C16H20FNO/c1-4-18-16(14-9-11(2)19-12(14)3)10-13-7-5-6-8-15(13)17/h5-9,16,18H,4,10H2,1-3H3
InChIKeyHXLMUUXHAHMLNX-UHFFFAOYSA-N
XLogP3.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 63504146
N-[2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 115839286
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 115841647
1-(2-ethoxyphenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61066488
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790179
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-ethylethanamine
CID 105015627
N-[1-(2,5-dimethylfuran-3-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105051030
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308
N-ethyl-2-(2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 79693438
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine (CID 61065242) is 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine is CCNC(Cc1ccccc1F)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
The InChIKey is HXLMUUXHAHMLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-4-18-16(14-9-11(2)19-12(14)3)10-13-7-5-6-8-15(13)17/h5-9,16,18H,4,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 61065242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).