1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine

C16H21NO2 — CID 102907450

IUPAC1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccccc2CCOC)o1
InChIInChI=1S/C16H21NO2/c1-12(17-2)15-8-9-16(19-15)14-7-5-4-6-13(14)10-11-18-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyXSOMLTLWBDHCPV-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.42
Rot. Bonds6

About 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine

1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine (PubChem CID 102907450) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine
PubChem CID102907450
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccccc2CCOC)o1
InChIInChI=1S/C16H21NO2/c1-12(17-2)15-8-9-16(19-15)14-7-5-4-6-13(14)10-11-18-3/h4-9,12,17H,10-11H2,1-3H3
InChIKeyXSOMLTLWBDHCPV-UHFFFAOYSA-N
XLogP3.42
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine (CID 102907450) is 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2ccccc2CCOC)o1.
What is the InChIKey of 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine?
The InChIKey is XSOMLTLWBDHCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(17-2)15-8-9-16(19-15)14-7-5-4-6-13(14)10-11-18-3/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine?
1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-methoxyethyl)phenyl]furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 102907450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).