1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine

C14H16FNO — CID 55118751

IUPAC1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H16FNO/c1-9-8-11(4-5-12(9)15)14-7-6-13(17-14)10(2)16-3/h4-8,10,16H,1-3H3
InChIKeyUYJXQGSZANKWKL-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.67
Rot. Bonds3

About 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine

1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine (PubChem CID 55118751) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
PubChem CID55118751
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H16FNO/c1-9-8-11(4-5-12(9)15)14-7-6-13(17-14)10(2)16-3/h4-8,10,16H,1-3H3
InChIKeyUYJXQGSZANKWKL-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine (CID 55118751) is 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(F)c(C)c2)o1.
What is the InChIKey of 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine?
The InChIKey is UYJXQGSZANKWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9-8-11(4-5-12(9)15)14-7-6-13(17-14)10(2)16-3/h4-8,10,16H,1-3H3.
What are the key properties of 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine?
1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine has a molecular weight of 233.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 55118751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).