1-[4-(furan-3-yl)phenyl]-N-methylethanamine

C13H15NO — CID 63949145

IUPAC1-[4-(furan-3-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C13H15NO/c1-10(14-2)11-3-5-12(6-4-11)13-7-8-15-9-13/h3-10,14H,1-2H3
InChIKeyILDIQQJVAZLTJA-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.23
Rot. Bonds3

About 1-[4-(furan-3-yl)phenyl]-N-methylethanamine

1-[4-(furan-3-yl)phenyl]-N-methylethanamine (PubChem CID 63949145) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[4-(furan-3-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(furan-3-yl)phenyl]-N-methylethanamine
PubChem CID63949145
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-[4-(furan-3-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccoc2)cc1
InChIInChI=1S/C13H15NO/c1-10(14-2)11-3-5-12(6-4-11)13-7-8-15-9-13/h3-10,14H,1-2H3
InChIKeyILDIQQJVAZLTJA-UHFFFAOYSA-N
XLogP3.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(furan-3-yl)phenyl]-N-methylethanamine (CID 63949145) is 1-[4-(furan-3-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(furan-3-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(furan-3-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2ccoc2)cc1.
What is the InChIKey of 1-[4-(furan-3-yl)phenyl]-N-methylethanamine?
The InChIKey is ILDIQQJVAZLTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-10(14-2)11-3-5-12(6-4-11)13-7-8-15-9-13/h3-10,14H,1-2H3.
What are the key properties of 1-[4-(furan-3-yl)phenyl]-N-methylethanamine?
1-[4-(furan-3-yl)phenyl]-N-methylethanamine has a molecular weight of 201.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 63949145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).