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

C15H17F2NO — CID 55181121

IUPAC1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C15H17F2NO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(16)4-6-14(13)17/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeySEGYZGKDJSMMJW-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.77
Rot. Bonds5

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

1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (PubChem CID 55181121) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
PubChem CID55181121
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(-c2cc(F)ccc2F)o1
InChIInChI=1S/C15H17F2NO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(16)4-6-14(13)17/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeySEGYZGKDJSMMJW-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-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine (CID 55181121) is 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(-c2cc(F)ccc2F)o1.
What is the InChIKey of 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
The InChIKey is SEGYZGKDJSMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-3-18-10(2)8-12-5-7-15(19-12)13-9-11(16)4-6-14(13)17/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 1-[5-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine?
1-[5-(2,5-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-(2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine is sourced from PubChem (CID 55181121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).