5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline

C16H20N2O2 — CID 115414026

IUPAC5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
SMILESCOc1ccc(CN(C)c2ccccc2OC)c(N)c1
InChIInChI=1S/C16H20N2O2/c1-18(15-6-4-5-7-16(15)20-3)11-12-8-9-13(19-2)10-14(12)17/h4-10H,11,17H2,1-3H3
InChIKeyHZEFUNSXKFVZIY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds5

About 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline

5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline (PubChem CID 115414026) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
PubChem CID115414026
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline
SMILESCOc1ccc(CN(C)c2ccccc2OC)c(N)c1
InChIInChI=1S/C16H20N2O2/c1-18(15-6-4-5-7-16(15)20-3)11-12-8-9-13(19-2)10-14(12)17/h4-10H,11,17H2,1-3H3
InChIKeyHZEFUNSXKFVZIY-UHFFFAOYSA-N
XLogP2.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-methoxy-2-[(2-methoxy-N-methylanilino)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

Related Compounds

2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-2-methoxy-N-methylaniline
CID 107113327
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
N-(hydrazinylmethyl)-2-methoxy-N-methylaniline
CID 115260697
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
N-[[2-(aminomethyl)furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428788
2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline?
The IUPAC name of 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline (CID 115414026) is 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline.
What is the SMILES notation for 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline?
The canonical SMILES for 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline is COc1ccc(CN(C)c2ccccc2OC)c(N)c1.
What is the InChIKey of 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline?
The InChIKey is HZEFUNSXKFVZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(15-6-4-5-7-16(15)20-3)11-12-8-9-13(19-2)10-14(12)17/h4-10H,11,17H2,1-3H3.
What are the key properties of 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline?
5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline has a molecular weight of 272.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methoxy-N-methylanilino)methyl]aniline is sourced from PubChem (CID 115414026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).