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

C20H22N2O3 — CID 155510543

IUPAC2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(CNc2ccccc2OC)o1
InChIInChI=1S/C20H22N2O3/c1-23-19-9-5-3-7-17(19)21-13-15-11-12-16(25-15)14-22-18-8-4-6-10-20(18)24-2/h3-12,21-22H,13-14H2,1-2H3
InChIKeyDUUFLSLARRWSCI-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.52
Rot. Bonds8

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

2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline (PubChem CID 155510543) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline
PubChem CID155510543
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline
SMILESCOc1ccccc1NCc1ccc(CNc2ccccc2OC)o1
InChIInChI=1S/C20H22N2O3/c1-23-19-9-5-3-7-17(19)21-13-15-11-12-16(25-15)14-22-18-8-4-6-10-20(18)24-2/h3-12,21-22H,13-14H2,1-2H3
InChIKeyDUUFLSLARRWSCI-UHFFFAOYSA-N
XLogP4.52
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline (CID 155510543) is 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline is COc1ccccc1NCc1ccc(CNc2ccccc2OC)o1.
What is the InChIKey of 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is DUUFLSLARRWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-23-19-9-5-3-7-17(19)21-13-15-11-12-16(25-15)14-22-18-8-4-6-10-20(18)24-2/h3-12,21-22H,13-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline?
2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 338.41 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-[(2-methoxyanilino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 155510543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).