1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

C15H19NO4 — CID 1090543

IUPAC1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1ccco1
InChIInChI=1S/C15H19NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3
InChIKeySGAIRJNRNSGQRC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.60
Rot. Bonds7

About 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine

1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 1090543) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID1090543
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1ccco1
InChIInChI=1S/C15H19NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3
InChIKeySGAIRJNRNSGQRC-UHFFFAOYSA-N
XLogP2.60
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 1090543) is 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CNCc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is SGAIRJNRNSGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-17-13-8-15(19-3)14(18-2)7-11(13)9-16-10-12-5-4-6-20-12/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 277.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 1090543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).