bis(4-methoxyphenyl)methyl-trimethylazanium

C18H24NO2+ — CID 71485391

IUPACbis(4-methoxyphenyl)methyl-trimethylazanium
SMILESCOc1ccc(C(c2ccc(OC)cc2)[N+](C)(C)C)cc1
InChIInChI=1S/C18H24NO2/c1-19(2,3)18(14-6-10-16(20-4)11-7-14)15-8-12-17(21-5)13-9-15/h6-13,18H,1-5H3/q+1
InChIKeyCNWPCAVHMLPMPB-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.50
Rot. Bonds5

About bis(4-methoxyphenyl)methyl-trimethylazanium

bis(4-methoxyphenyl)methyl-trimethylazanium (PubChem CID 71485391) has the molecular formula C18H24NO2+ and a molecular weight of 286.40 g/mol. Its IUPAC name is bis(4-methoxyphenyl)methyl-trimethylazanium.

Molecular Properties

Compound Namebis(4-methoxyphenyl)methyl-trimethylazanium
PubChem CID71485391
Molecular FormulaC18H24NO2+
Molecular Weight286.40 g/mol
Exact Mass286.18
IUPAC Namebis(4-methoxyphenyl)methyl-trimethylazanium
SMILESCOc1ccc(C(c2ccc(OC)cc2)[N+](C)(C)C)cc1
InChIInChI=1S/C18H24NO2/c1-19(2,3)18(14-6-10-16(20-4)11-7-14)15-8-12-17(21-5)13-9-15/h6-13,18H,1-5H3/q+1
InChIKeyCNWPCAVHMLPMPB-UHFFFAOYSA-N
XLogP3.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(4-methoxyphenyl)methyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methanedithiol
CID 19893185
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
1-[(1S,2R)-1-ethynyl-2-(4-methoxyphenyl)but-3-ynyl]-4-methoxybenzene
CID 132575101
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-(4-methoxyphenyl)ethyl-dimethyl-prop-2-ynylazanium
CID 24989877
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
CID 175713586
CID 175713586
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
4-[amino-(4-methoxyphenyl)methyl]phenol;hydrochloride
CID 69080735

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxyphenyl)methyl-trimethylazanium?
The IUPAC name of bis(4-methoxyphenyl)methyl-trimethylazanium (CID 71485391) is bis(4-methoxyphenyl)methyl-trimethylazanium.
What is the SMILES notation for bis(4-methoxyphenyl)methyl-trimethylazanium?
The canonical SMILES for bis(4-methoxyphenyl)methyl-trimethylazanium is COc1ccc(C(c2ccc(OC)cc2)[N+](C)(C)C)cc1.
What is the InChIKey of bis(4-methoxyphenyl)methyl-trimethylazanium?
The InChIKey is CNWPCAVHMLPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO2/c1-19(2,3)18(14-6-10-16(20-4)11-7-14)15-8-12-17(21-5)13-9-15/h6-13,18H,1-5H3/q+1.
What are the key properties of bis(4-methoxyphenyl)methyl-trimethylazanium?
bis(4-methoxyphenyl)methyl-trimethylazanium has a molecular weight of 286.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxyphenyl)methyl-trimethylazanium is sourced from PubChem (CID 71485391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).