2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine

C15H17F2NO — CID 104805432

IUPAC2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1occc1C
InChIInChI=1S/C15H17F2NO/c1-3-18-14(15-10(2)6-7-19-15)9-11-8-12(16)4-5-13(11)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyHIKDYJHEMNHEGT-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.76
Rot. Bonds5

About 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine

2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104805432) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104805432
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1F)c1occc1C
InChIInChI=1S/C15H17F2NO/c1-3-18-14(15-10(2)6-7-19-15)9-11-8-12(16)4-5-13(11)17/h4-8,14,18H,3,9H2,1-2H3
InChIKeyHIKDYJHEMNHEGT-UHFFFAOYSA-N
XLogP3.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
CID 61063846
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805965
2-(2,5-difluorophenyl)-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115809563
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
[2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269473
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804658
2-(2,5-difluorophenyl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 115810060
2-(2,5-difluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115810208
[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269345
2-(2,5-difluorophenyl)-N-ethyl-1-(6-methyl-2-pyridinyl)ethanamine
CID 63554372
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine (CID 104805432) is 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine is CCNC(Cc1cc(F)ccc1F)c1occc1C.
What is the InChIKey of 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is HIKDYJHEMNHEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-18-14(15-10(2)6-7-19-15)9-11-8-12(16)4-5-13(11)17/h4-8,14,18H,3,9H2,1-2H3.
What are the key properties of 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine?
2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 265.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104805432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).