1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine

C15H17F2NO2 — CID 105029493

IUPAC1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2NO2/c1-2-18-14(10-12-7-4-8-19-12)11-5-3-6-13(9-11)20-15(16)17/h3-9,14-15,18H,2,10H2,1H3
InChIKeyBSXWUDHFWWFNED-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.77
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine

1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 105029493) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID105029493
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H17F2NO2/c1-2-18-14(10-12-7-4-8-19-12)11-5-3-6-13(9-11)20-15(16)17/h3-9,14-15,18H,2,10H2,1H3
InChIKeyBSXWUDHFWWFNED-UHFFFAOYSA-N
XLogP3.77
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105029351
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-pyridin-3-ylethanamine
CID 105034670
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
N-ethyl-2-(furan-2-yl)-1-(4-methoxy-3-methylphenyl)ethanamine
CID 83183271
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
N-ethyl-2-(furan-2-yl)-1-pyridin-4-ylethanamine
CID 83175492
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine (CID 105029493) is 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine is CCNC(Cc1ccco1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is BSXWUDHFWWFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-2-18-14(10-12-7-4-8-19-12)11-5-3-6-13(9-11)20-15(16)17/h3-9,14-15,18H,2,10H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine?
1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine has a molecular weight of 281.30 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).