N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine

C19H21NO5 — CID 3740793

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(OC)cc1/C=N/CC1COc2ccccc2O1
InChIInChI=1S/C19H21NO5/c1-21-17-9-19(23-3)18(22-2)8-13(17)10-20-11-14-12-24-15-6-4-5-7-16(15)25-14/h4-10,14H,11-12H2,1-3H3/b20-10+
InChIKeyPYMSSXKLRDHDOS-KEBDBYFISA-N
MW343.38 g/mol
LogP2.97
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine (PubChem CID 3740793) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine
PubChem CID3740793
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(OC)c(OC)cc1/C=N/CC1COc2ccccc2O1
InChIInChI=1S/C19H21NO5/c1-21-17-9-19(23-3)18(22-2)8-13(17)10-20-11-14-12-24-15-6-4-5-7-16(15)25-14/h4-10,14H,11-12H2,1-3H3/b20-10+
InChIKeyPYMSSXKLRDHDOS-KEBDBYFISA-N
XLogP2.97
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)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

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyliminomethyl)phenol
CID 4059922
1-(4-chlorophenyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanimine
CID 744964
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351720
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 119117183
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 32940565
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
1,3-benzodioxole;(3S)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxine
CID 91314133
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine;1-(2-methoxyphenyl)-4-methylpiperidine
CID 70101267
(E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7995200
(3R)-3-(chloromethyl)-2,3-dihydro-1,4-benzodioxine
CID 736477

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine (CID 3740793) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine is COc1cc(OC)c(OC)cc1/C=N/CC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine?
The InChIKey is PYMSSXKLRDHDOS-KEBDBYFISA-N. The full InChI is InChI=1S/C19H21NO5/c1-21-17-9-19(23-3)18(22-2)8-13(17)10-20-11-14-12-24-15-6-4-5-7-16(15)25-14/h4-10,14H,11-12H2,1-3H3/b20-10+.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine has a molecular weight of 343.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 3740793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).