2-benzhydryloxyethyl(trimethyl)azanium

C18H24NO+ — CID 26536

IUPAC2-benzhydryloxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NO/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/q+1
InChIKeyLTWUEHSXIKQTIK-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.50
Rot. Bonds6

About 2-benzhydryloxyethyl(trimethyl)azanium

2-benzhydryloxyethyl(trimethyl)azanium (PubChem CID 26536) has the molecular formula C18H24NO+ and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-benzhydryloxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-benzhydryloxyethyl(trimethyl)azanium
PubChem CID26536
Molecular FormulaC18H24NO+
Molecular Weight270.40 g/mol
Exact Mass270.19
IUPAC Name2-benzhydryloxyethyl(trimethyl)azanium
SMILESC[N+](C)(C)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NO/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/q+1
InChIKeyLTWUEHSXIKQTIK-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
CID 5051949
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
CID 20838241
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731
(2S)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propan-2-ol
CID 10338239
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
3-benzhydryloxypropylbenzene
CID 11255103
3-benzhydryloxy-N-propan-2-ylpropan-1-amine
CID 163865412
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
benzhydryloxymethylbenzene
CID 11437288
(3-hydroxy-3-phenylpropyl)-trimethylazanium
CID 3026695

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxyethyl(trimethyl)azanium?
The IUPAC name of 2-benzhydryloxyethyl(trimethyl)azanium (CID 26536) is 2-benzhydryloxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-benzhydryloxyethyl(trimethyl)azanium?
The canonical SMILES for 2-benzhydryloxyethyl(trimethyl)azanium is C[N+](C)(C)CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryloxyethyl(trimethyl)azanium?
The InChIKey is LTWUEHSXIKQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NO/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3/q+1.
What are the key properties of 2-benzhydryloxyethyl(trimethyl)azanium?
2-benzhydryloxyethyl(trimethyl)azanium has a molecular weight of 270.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxyethyl(trimethyl)azanium is sourced from PubChem (CID 26536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).