[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine

C14H17NO4 — CID 106888714

IUPAC[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
SMILESCOc1ccc(-c2ccc(CN)o2)c(OC)c1OC
InChIInChI=1S/C14H17NO4/c1-16-12-7-5-10(13(17-2)14(12)18-3)11-6-4-9(8-15)19-11/h4-7H,8,15H2,1-3H3
InChIKeyYBTSZGOJKOTZGL-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.43
Rot. Bonds5

About [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine

[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine (PubChem CID 106888714) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
PubChem CID106888714
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine
SMILESCOc1ccc(-c2ccc(CN)o2)c(OC)c1OC
InChIInChI=1S/C14H17NO4/c1-16-12-7-5-10(13(17-2)14(12)18-3)11-6-4-9(8-15)19-11/h4-7H,8,15H2,1-3H3
InChIKeyYBTSZGOJKOTZGL-UHFFFAOYSA-N
XLogP2.43
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine (CID 106888714) is [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine is COc1ccc(-c2ccc(CN)o2)c(OC)c1OC.
What is the InChIKey of [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine?
The InChIKey is YBTSZGOJKOTZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-16-12-7-5-10(13(17-2)14(12)18-3)11-6-4-9(8-15)19-11/h4-7H,8,15H2,1-3H3.
What are the key properties of [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine?
[5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine has a molecular weight of 263.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3,4-trimethoxyphenyl)furan-2-yl]methanamine is sourced from PubChem (CID 106888714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).