1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium

C24H26NO4+ — CID 7458556

IUPAC1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C
InChIInChI=1S/C24H25NO4/c1-17-5-3-4-6-20(17)15-27-21-9-7-18(11-23(21)26-2)13-25-14-19-8-10-22-24(12-19)29-16-28-22/h3-12,25H,13-16H2,1-2H3/p+1
InChIKeyYXQLDWJERDLDBC-UHFFFAOYSA-O
MW392.48 g/mol
LogP3.57
Rot. Bonds8

About 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium

1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium (PubChem CID 7458556) has the molecular formula C24H26NO4+ and a molecular weight of 392.48 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium
PubChem CID7458556
Molecular FormulaC24H26NO4+
Molecular Weight392.48 g/mol
Exact Mass392.19
IUPAC Name1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C
InChIInChI=1S/C24H25NO4/c1-17-5-3-4-6-20(17)15-27-21-9-7-18(11-23(21)26-2)13-25-14-19-8-10-22-24(12-19)29-16-28-22/h3-12,25H,13-16H2,1-2H3/p+1
InChIKeyYXQLDWJERDLDBC-UHFFFAOYSA-O
XLogP3.57
TPSA53.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719538
1,3-benzodioxol-5-ylmethyl-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7248527
[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-(pyridin-2-ylmethyl)azanium
CID 7228263
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
1,3-benzodioxol-5-ylmethyl-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium chloride
CID 44664744
1,3-benzodioxol-5-ylmethyl-[(5-chloro-2-methoxyphenyl)methyl]azanium
CID 7458309
[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639858
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724176
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17293728
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 4719506
N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine;hydrochloride
CID 17294388
N',N'-diethyl-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4719869

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium (CID 7458556) is 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium is COc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1C.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium?
The InChIKey is YXQLDWJERDLDBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25NO4/c1-17-5-3-4-6-20(17)15-27-21-9-7-18(11-23(21)26-2)13-25-14-19-8-10-22-24(12-19)29-16-28-22/h3-12,25H,13-16H2,1-2H3/p+1.
What are the key properties of 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium?
1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium has a molecular weight of 392.48 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium is sourced from PubChem (CID 7458556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).