(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium

C18H24NO3+ — CID 3648788

IUPAC(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1
InChIInChI=1S/C18H23NO3/c1-13-7-14(5-6-18(13)22-4)11-19-12-15-8-16(20-2)10-17(9-15)21-3/h5-10,19H,11-12H2,1-4H3/p+1
InChIKeyPQUSACOEBTUTAO-UHFFFAOYSA-O
MW302.39 g/mol
LogP2.28
Rot. Bonds7

About (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium

(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium (PubChem CID 3648788) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium
PubChem CID3648788
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1
InChIInChI=1S/C18H23NO3/c1-13-7-14(5-6-18(13)22-4)11-19-12-15-8-16(20-2)10-17(9-15)21-3/h5-10,19H,11-12H2,1-4H3/p+1
InChIKeyPQUSACOEBTUTAO-UHFFFAOYSA-O
XLogP2.28
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[(4-methoxy-3-methylphenyl)methyl]-5-[(4-methoxyphenyl)methyl]benzene
CID 146175274
2-(2-fluorophenyl)ethyl-[(4-methoxy-3-methylphenyl)methyl]azanium
CID 2163765
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
(4-methoxy-3-methylphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium
CID 6942638
(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
(4-methoxy-3-methylphenyl)methyl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 7071650
(4-methoxy-3-methylphenyl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium
CID 7071651
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
The IUPAC name of (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium (CID 3648788) is (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium.
What is the SMILES notation for (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
The canonical SMILES for (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium is COc1cc(C[NH2+]Cc2ccc(OC)c(C)c2)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
The InChIKey is PQUSACOEBTUTAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO3/c1-13-7-14(5-6-18(13)22-4)11-19-12-15-8-16(20-2)10-17(9-15)21-3/h5-10,19H,11-12H2,1-4H3/p+1.
What are the key properties of (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium?
(3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methyl-[(4-methoxy-3-methylphenyl)methyl]azanium is sourced from PubChem (CID 3648788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).