N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine

C17H17NO3 — CID 126104574

IUPACN-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccc(C)cc1C)OCO2
InChIInChI=1S/C17H17NO3/c1-11-4-5-14(12(2)6-11)18-9-13-7-16-17(21-10-20-16)8-15(13)19-3/h4-9H,10H2,1-3H3/b18-9+
InChIKeyKPKNFANWNWAKQC-GIJQJNRQSA-N
MW283.33 g/mol
LogP3.79
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine

N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine (PubChem CID 126104574) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine
PubChem CID126104574
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine
SMILESCOc1cc2c(cc1/C=N/c1ccc(C)cc1C)OCO2
InChIInChI=1S/C17H17NO3/c1-11-4-5-14(12(2)6-11)18-9-13-7-16-17(21-10-20-16)8-15(13)19-3/h4-9H,10H2,1-3H3/b18-9+
InChIKeyKPKNFANWNWAKQC-GIJQJNRQSA-N
XLogP3.79
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methoxy-1,3-benzodioxol-5-yl)-N-(2-methylphenyl)methanimine
CID 126101527
1-(6-bromo-1,3-benzodioxol-5-yl)-N-(2-bromo-4-methylphenyl)methanimine
CID 1377883
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 126106659
2-methoxy-N-[(E)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
CID 126109428
2-chloro-N-[(Z)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzamide
CID 126058894
5-ethenyl-6-methoxy-1,3-benzodioxole
CID 102182518
1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
CID 3798775
N-(2-bromo-4-methylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
CID 1079446
2-hydroxy-5-[(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]benzoic acid
CID 126114890
4-[(2,4-dimethylphenyl)iminomethyl]-2-methoxyphenol
CID 693352
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
N-[(Z)-(6-methoxy-1,3-benzodioxol-5-yl)methylideneamino]-4-nitroaniline
CID 126059475

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine (CID 126104574) is N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine is COc1cc2c(cc1/C=N/c1ccc(C)cc1C)OCO2.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine?
The InChIKey is KPKNFANWNWAKQC-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-4-5-14(12(2)6-11)18-9-13-7-16-17(21-10-20-16)8-15(13)19-3/h4-9H,10H2,1-3H3/b18-9+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine has a molecular weight of 283.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzodioxol-5-yl)methanimine is sourced from PubChem (CID 126104574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).