[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium

C18H26N2O+2 — CID 8898263

IUPAC[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(2)14-17-6-4-15(5-7-17)12-19-13-16-8-10-18(21-3)11-9-16/h4-11,19H,12-14H2,1-3H3/p+2
InChIKeyXURSJKHXPBRMMZ-UHFFFAOYSA-P
MW286.42 g/mol
LogP0.60
Rot. Bonds7

About [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium

[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium (PubChem CID 8898263) has the molecular formula C18H26N2O+2 and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
PubChem CID8898263
Molecular FormulaC18H26N2O+2
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(2)14-17-6-4-15(5-7-17)12-19-13-16-8-10-18(21-3)11-9-16/h4-11,19H,12-14H2,1-3H3/p+2
InChIKeyXURSJKHXPBRMMZ-UHFFFAOYSA-P
XLogP0.60
TPSA30.28 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]-[(4-methoxyphenyl)methyl]azanium
CID 7714694
(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
(3-cyclohexyl-3-oxopropyl)-[(4-methoxyphenyl)methyl]azanium chloride
CID 110184835
(1-hydroxy-2-methylpropan-2-yl)-[(4-methoxyphenyl)methyl]azanium
CID 6994569
CID 175604529
CID 175604529

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium (CID 8898263) is [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium is COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1.
What is the InChIKey of [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is XURSJKHXPBRMMZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H24N2O/c1-20(2)14-17-6-4-15(5-7-17)12-19-13-16-8-10-18(21-3)11-9-16/h4-11,19H,12-14H2,1-3H3/p+2.
What are the key properties of [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium?
[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 286.42 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 8898263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).