1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine

C13H14FNO — CID 79049528

IUPAC1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine
SMILESCc1cc(F)cc(-c2ccc(C(C)N)o2)c1
InChIInChI=1S/C13H14FNO/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7,9H,15H2,1-2H3
InChIKeyCXCZGDQSMKFJAT-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.41
Rot. Bonds2

About 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine

1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine (PubChem CID 79049528) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine
PubChem CID79049528
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine
SMILESCc1cc(F)cc(-c2ccc(C(C)N)o2)c1
InChIInChI=1S/C13H14FNO/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7,9H,15H2,1-2H3
InChIKeyCXCZGDQSMKFJAT-UHFFFAOYSA-N
XLogP3.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine (CID 79049528) is 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine is Cc1cc(F)cc(-c2ccc(C(C)N)o2)c1.
What is the InChIKey of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine?
The InChIKey is CXCZGDQSMKFJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8-5-10(7-11(14)6-8)13-4-3-12(16-13)9(2)15/h3-7,9H,15H2,1-2H3.
What are the key properties of 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine?
1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-5-methylphenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 79049528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).