N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine

C15H18FNO — CID 63084587

IUPACN-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine
SMILESCCNC(C)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO/c1-3-17-11(2)10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3
InChIKeyUFSPUGNFPMIJPA-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.63
Rot. Bonds5

About N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine

N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine (PubChem CID 63084587) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine
PubChem CID63084587
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine
SMILESCCNC(C)Cc1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO/c1-3-17-11(2)10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3
InChIKeyUFSPUGNFPMIJPA-UHFFFAOYSA-N
XLogP3.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine?
The IUPAC name of N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine (CID 63084587) is N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine is CCNC(C)Cc1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine?
The InChIKey is UFSPUGNFPMIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-17-11(2)10-14-8-9-15(18-14)12-4-6-13(16)7-5-12/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine?
N-ethyl-1-[5-(4-fluorophenyl)furan-2-yl]propan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 3.63, 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-(4-fluorophenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 63084587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).