1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride

C17H24ClNO4 — CID 47008361

IUPAC1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)c1ccc(C)o1.Cl
InChIInChI=1S/C17H23NO4.ClH/c1-11-6-7-14(22-11)12(2)18-10-13-8-16(20-4)17(21-5)9-15(13)19-3;/h6-9,12,18H,10H2,1-5H3;1H
InChIKeyVYGUTEXXHNLIHK-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.89
Rot. Bonds7

About 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride

1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 47008361) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID47008361
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Name1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)c1ccc(C)o1.Cl
InChIInChI=1S/C17H23NO4.ClH/c1-11-6-7-14(22-11)12(2)18-10-13-8-16(20-4)17(21-5)9-15(13)19-3;/h6-9,12,18H,10H2,1-5H3;1H
InChIKeyVYGUTEXXHNLIHK-UHFFFAOYSA-N
XLogP3.89
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride (CID 47008361) is 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride is COc1cc(OC)c(OC)cc1CNC(C)c1ccc(C)o1.Cl.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
The InChIKey is VYGUTEXXHNLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4.ClH/c1-11-6-7-14(22-11)12(2)18-10-13-8-16(20-4)17(21-5)9-15(13)19-3;/h6-9,12,18H,10H2,1-5H3;1H.
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride?
1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 47008361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).