2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline

C16H22N2O2 — CID 62430748

IUPAC2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1cc(CN(C)c2ccccc2OC)oc1C
InChIInChI=1S/C16H22N2O2/c1-12-13(10-17-2)9-14(20-12)11-18(3)15-7-5-6-8-16(15)19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyLVBJCJATXJAWGS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.95
Rot. Bonds6

About 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline

2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline (PubChem CID 62430748) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
PubChem CID62430748
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
SMILESCNCc1cc(CN(C)c2ccccc2OC)oc1C
InChIInChI=1S/C16H22N2O2/c1-12-13(10-17-2)9-14(20-12)11-18(3)15-7-5-6-8-16(15)19-4/h5-9,17H,10-11H2,1-4H3
InChIKeyLVBJCJATXJAWGS-UHFFFAOYSA-N
XLogP2.95
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The IUPAC name of 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline (CID 62430748) is 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline is CNCc1cc(CN(C)c2ccccc2OC)oc1C.
What is the InChIKey of 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
The InChIKey is LVBJCJATXJAWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-13(10-17-2)9-14(20-12)11-18(3)15-7-5-6-8-16(15)19-4/h5-9,17H,10-11H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline?
2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline has a molecular weight of 274.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 62430748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).