(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium

C21H32N2O4+2 — CID 7203495

IUPAC(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium
SMILESCOc1ccc(C[NH2+]C[C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-15(23-14-17-7-9-19(25-3)21(11-17)27-5)12-22-13-16-6-8-18(24-2)20(10-16)26-4/h6-11,15,22-23H,12-14H2,1-5H3/p+2/t15-/m1/s1
InChIKeyANGZRUFMMINUAK-OAHLLOKOSA-P
MW376.50 g/mol
LogP0.94
Rot. Bonds11

About (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium

(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium (PubChem CID 7203495) has the molecular formula C21H32N2O4+2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium
PubChem CID7203495
Molecular FormulaC21H32N2O4+2
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium
SMILESCOc1ccc(C[NH2+]C[C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H30N2O4/c1-15(23-14-17-7-9-19(25-3)21(11-17)27-5)12-22-13-16-6-8-18(24-2)20(10-16)26-4/h6-11,15,22-23H,12-14H2,1-5H3/p+2/t15-/m1/s1
InChIKeyANGZRUFMMINUAK-OAHLLOKOSA-P
XLogP0.94
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)methyl-prop-2-enylazanium
CID 2197774
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CID 6942638
(4-methoxy-3-phenylmethoxyphenyl)methyl-(1-methoxypropan-2-yl)azanium
CID 4745399
(4-methoxy-3-phenylmethoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 7324300
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
(3,4-dimethoxyphenyl)methyl-[(3R)-3-(furan-2-yl)-6-methylheptyl]azanium
CID 7094102
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
2-(3,4-dimethoxyphenyl)ethyl-(thiophen-3-ylmethyl)azanium
CID 7263987
(3,4-dimethoxyphenyl)methyl-[(2S)-2-[(2S,4S)-2-ethyl-2-methyloxan-4-yl]-2-hydroxyethyl]azanium
CID 7075919
(3,4-dimethoxyphenyl)methyl-[2-(2-ethyl-2-methyloxan-4-yl)-2-hydroxyethyl]azanium
CID 5134571

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium?
The IUPAC name of (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium (CID 7203495) is (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium is COc1ccc(C[NH2+]C[C@@H](C)[NH2+]Cc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium?
The InChIKey is ANGZRUFMMINUAK-OAHLLOKOSA-P. The full InChI is InChI=1S/C21H30N2O4/c1-15(23-14-17-7-9-19(25-3)21(11-17)27-5)12-22-13-16-6-8-18(24-2)20(10-16)26-4/h6-11,15,22-23H,12-14H2,1-5H3/p+2/t15-/m1/s1.
What are the key properties of (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium?
(3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium has a molecular weight of 376.50 g/mol, XLogP of 0.94, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl-[(2R)-1-[(3,4-dimethoxyphenyl)methylazaniumyl]propan-2-yl]azanium is sourced from PubChem (CID 7203495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).