1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine

C16H15NO3 — CID 126101527

IUPAC1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccccc1C)OCO2
InChIInChI=1S/C16H15NO3/c1-11-5-3-4-6-13(11)17-9-12-7-15-16(20-10-19-15)8-14(12)18-2/h3-9H,10H2,1-2H3/b17-9+
InChIKeyHHNUEERMPWJXJB-RQZCQDPDSA-N
MW269.30 g/mol
LogP3.48
Rot. Bonds3

About 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine

1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine (PubChem CID 126101527) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
PubChem CID126101527
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccccc1C)OCO2
InChIInChI=1S/C16H15NO3/c1-11-5-3-4-6-13(11)17-9-12-7-15-16(20-10-19-15)8-14(12)18-2/h3-9H,10H2,1-2H3/b17-9+
InChIKeyHHNUEERMPWJXJB-RQZCQDPDSA-N
XLogP3.48
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine 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

N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine
CID 126104574
2-hydroxy-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
CID 126114890
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
methyl 3-[(6-ethoxy-1,3-benzodioxol-5-yl)methylideneamino]-2-methylbenzoate
CID 126101193
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-naphthalen-2-ylmethanimine
CID 126111239
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 126106659
N-[(Z)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-nitroaniline
CID 126059475
N-(4-bromo-3-methylphenyl)-1-(6-ethoxy-1,3-benzodioxol-5-yl)methanimine
CID 126102016
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(4-fluoro-3-methylphenyl)methanimine
CID 126111414
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
CID 145489460
(E)-3-(6-methoxy-1,3-benzodioxol-5-yl)-2-phenylprop-2-enenitrile
CID 1082604
1-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-bromo-4-methylphenyl)methanimine
CID 1377883

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine (CID 126101527) is 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine is COc1cc2c(cc1/C=N/c1ccccc1C)OCO2.
What is the InChIKey of 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine?
The InChIKey is HHNUEERMPWJXJB-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-5-3-4-6-13(11)17-9-12-7-15-16(20-10-19-15)8-14(12)18-2/h3-9H,10H2,1-2H3/b17-9+.
What are the key properties of 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine?
1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine has a molecular weight of 269.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126101527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).