1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine

C15H17F2NO — CID 63083925

IUPAC1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C15H17F2NO/c1-3-18-10(2)6-14-4-5-15(19-14)11-7-12(16)9-13(17)8-11/h4-5,7-10,18H,3,6H2,1-2H3
InChIKeyZYUCERCEOCXHON-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.77
Rot. Bonds5

About 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine

1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 63083925) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID63083925
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)cc(F)c2)o1
InChIInChI=1S/C15H17F2NO/c1-3-18-10(2)6-14-4-5-15(19-14)11-7-12(16)9-13(17)8-11/h4-5,7-10,18H,3,6H2,1-2H3
InChIKeyZYUCERCEOCXHON-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 63083925) is 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2cc(F)cc(F)c2)o1.
What is the InChIKey of 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is ZYUCERCEOCXHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-18-10(2)6-14-4-5-15(19-14)11-7-12(16)9-13(17)8-11/h4-5,7-10,18H,3,6H2,1-2H3.
What are the key properties of 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine has a molecular weight of 265.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 63083925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).