2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium

C17H22NO2+ — CID 7324179

IUPAC2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESCOCC[NH2+]Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-19-11-10-18-13-16-8-5-9-17(12-16)20-14-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3/p+1
InChIKeyTZYAHYLMICEHNV-UHFFFAOYSA-O
MW272.37 g/mol
LogP1.98
Rot. Bonds8

About 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium

2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium (PubChem CID 7324179) has the molecular formula C17H22NO2+ and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium
PubChem CID7324179
Molecular FormulaC17H22NO2+
Molecular Weight272.37 g/mol
Exact Mass272.16
IUPAC Name2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESCOCC[NH2+]Cc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-19-11-10-18-13-16-8-5-9-17(12-16)20-14-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3/p+1
InChIKeyTZYAHYLMICEHNV-UHFFFAOYSA-O
XLogP1.98
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
benzyl-[2-(3-methylphenoxy)ethyl]azanium
CID 2181236
1-phenylmethoxy-3-propylbenzene
CID 58977798
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
3-methoxypropyl-[4-(4-phenylmethoxyphenoxy)butyl]azanium
CID 7381462
[(2R)-oxolan-2-yl]methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7324545
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
CID 57238609
CID 57238609
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
5-(4-fluorophenyl)-1-(2-methoxyethyl)-N-[(3-phenylmethoxyphenyl)methyl]imidazol-2-amine
CID 4539990
1-(2-bromoethoxy)-3-phenylmethoxybenzene
CID 23294563

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium (CID 7324179) is 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium is COCC[NH2+]Cc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is TZYAHYLMICEHNV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H21NO2/c1-19-11-10-18-13-16-8-5-9-17(12-16)20-14-15-6-3-2-4-7-15/h2-9,12,18H,10-11,13-14H2,1H3/p+1.
What are the key properties of 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium?
2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium has a molecular weight of 272.37 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7324179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).