1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine

C15H19NO2 — CID 114253223

IUPAC1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(COC)cc2)o1
InChIInChI=1S/C15H19NO2/c1-11(16-2)14-8-9-15(18-14)13-6-4-12(5-7-13)10-17-3/h4-9,11,16H,10H2,1-3H3
InChIKeyYFUJULWFESVTCQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.37
Rot. Bonds5

About 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine

1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine (PubChem CID 114253223) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine
PubChem CID114253223
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(COC)cc2)o1
InChIInChI=1S/C15H19NO2/c1-11(16-2)14-8-9-15(18-14)13-6-4-12(5-7-13)10-17-3/h4-9,11,16H,10H2,1-3H3
InChIKeyYFUJULWFESVTCQ-UHFFFAOYSA-N
XLogP3.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine (CID 114253223) is 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(COC)cc2)o1.
What is the InChIKey of 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine?
The InChIKey is YFUJULWFESVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(16-2)14-8-9-15(18-14)13-6-4-12(5-7-13)10-17-3/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine?
1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine has a molecular weight of 245.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 114253223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).