N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine

C15H15F4NO — CID 107645719

IUPACN-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
SMILESCCNC(C)Cc1ccc(-c2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C15H15F4NO/c1-3-20-8(2)6-9-4-5-12(21-9)13-14(18)10(16)7-11(17)15(13)19/h4-5,7-8,20H,3,6H2,1-2H3
InChIKeyIUPJVOVSOHSLGV-UHFFFAOYSA-N
MW301.28 g/mol
LogP4.04
Rot. Bonds5

About N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine

N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine (PubChem CID 107645719) has the molecular formula C15H15F4NO and a molecular weight of 301.28 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
PubChem CID107645719
Molecular FormulaC15H15F4NO
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC NameN-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine
SMILESCCNC(C)Cc1ccc(-c2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C15H15F4NO/c1-3-20-8(2)6-9-4-5-12(21-9)13-14(18)10(16)7-11(17)15(13)19/h4-5,7-8,20H,3,6H2,1-2H3
InChIKeyIUPJVOVSOHSLGV-UHFFFAOYSA-N
XLogP4.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107577105
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
1-[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63399061
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
N-ethyl-1-(5-quinoxalin-6-ylfuran-2-yl)propan-2-amine
CID 63086160
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
N-ethyl-1-[5-(2-ethylphenyl)furan-2-yl]propan-2-amine
CID 63085626
1-[5-(2-bromo-4,6-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181507
1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one
CID 107645707

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine (CID 107645719) is N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine is CCNC(C)Cc1ccc(-c2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is IUPJVOVSOHSLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NO/c1-3-20-8(2)6-9-4-5-12(21-9)13-14(18)10(16)7-11(17)15(13)19/h4-5,7-8,20H,3,6H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine?
N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 301.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 107645719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).