N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine

C18H22FNO2 — CID 71918528

IUPACN-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine
SMILESCCc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)o1
InChIInChI=1S/C18H22FNO2/c1-2-16-7-8-17(22-16)13-20-18(9-11-21-12-10-18)14-3-5-15(19)6-4-14/h3-8,20H,2,9-13H2,1H3
InChIKeyOSGHUBVSVYDRNZ-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.78
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine

N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine (PubChem CID 71918528) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine
PubChem CID71918528
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine
SMILESCCc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)o1
InChIInChI=1S/C18H22FNO2/c1-2-16-7-8-17(22-16)13-20-18(9-11-21-12-10-18)14-3-5-15(19)6-4-14/h3-8,20H,2,9-13H2,1H3
InChIKeyOSGHUBVSVYDRNZ-UHFFFAOYSA-N
XLogP3.78
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine (CID 71918528) is N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine is CCc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine?
The InChIKey is OSGHUBVSVYDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c1-2-16-7-8-17(22-16)13-20-18(9-11-21-12-10-18)14-3-5-15(19)6-4-14/h3-8,20H,2,9-13H2,1H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine?
N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine has a molecular weight of 303.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-4-(4-fluorophenyl)oxan-4-amine is sourced from PubChem (CID 71918528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).