2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium

C18H23ClNO+ — CID 5051949

IUPAC2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClNO/c1-20(2,3)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12,18H,13-14H2,1-3H3/q+1
InChIKeyROMWALNJCQRFBE-UHFFFAOYSA-N
MW304.84 g/mol
LogP4.15
Rot. Bonds6

About 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium

2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium (PubChem CID 5051949) has the molecular formula C18H23ClNO+ and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
PubChem CID5051949
Molecular FormulaC18H23ClNO+
Molecular Weight304.84 g/mol
Exact Mass304.15
IUPAC Name2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
SMILESC[N+](C)(C)CCOC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H23ClNO/c1-20(2,3)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12,18H,13-14H2,1-3H3/q+1
InChIKeyROMWALNJCQRFBE-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-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

2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
CID 20838241
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
CID 131667562
1-[2-[bis(4-chlorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
CID 176945327
4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-1,4-thiazepane;hydrochloride
CID 20846597
1-benzhydryl-4-chlorobenzene
CID 13050205
1-[bis(2-phenoxyethoxy)methyl]-4-chlorobenzene
CID 71345800
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium (CID 5051949) is 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium is C[N+](C)(C)CCOC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium?
The InChIKey is ROMWALNJCQRFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClNO/c1-20(2,3)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12,18H,13-14H2,1-3H3/q+1.
What are the key properties of 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium?
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium has a molecular weight of 304.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium is sourced from PubChem (CID 5051949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).