1-(furan-2-yl)-N-methyl-2-phenylethanamine

C13H15NO — CID 18548

IUPAC1-(furan-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C13H15NO/c1-14-12(13-8-5-9-15-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3
InChIKeyOJYCNSIKWPZXHW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.78
Rot. Bonds4

About 1-(furan-2-yl)-N-methyl-2-phenylethanamine

1-(furan-2-yl)-N-methyl-2-phenylethanamine (PubChem CID 18548) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-2-phenylethanamine
PubChem CID18548
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(furan-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1ccco1
InChIInChI=1S/C13H15NO/c1-14-12(13-8-5-9-15-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3
InChIKeyOJYCNSIKWPZXHW-UHFFFAOYSA-N
XLogP2.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-2-phenylethanamine (CID 18548) is 1-(furan-2-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-2-phenylethanamine?
The InChIKey is OJYCNSIKWPZXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-12(13-8-5-9-15-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-2-phenylethanamine?
1-(furan-2-yl)-N-methyl-2-phenylethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 18548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).