N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide

C18H23NO2 — CID 20838241

IUPACN,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
SMILESCc1ccc(C(OCC[N+](C)(C)[O-])c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-9-11-17(12-10-15)18(16-7-5-4-6-8-16)21-14-13-19(2,3)20/h4-12,18H,13-14H2,1-3H3
InChIKeySESJLJAGOXUKJZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.68
Rot. Bonds6

About N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide

N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide (PubChem CID 20838241) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
PubChem CID20838241
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide
SMILESCc1ccc(C(OCC[N+](C)(C)[O-])c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-9-11-17(12-10-15)18(16-7-5-4-6-8-16)21-14-13-19(2,3)20/h4-12,18H,13-14H2,1-3H3
InChIKeySESJLJAGOXUKJZ-UHFFFAOYSA-N
XLogP3.68
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide 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

trimethyl-[2-[(S)-(4-methylphenyl)-phenylmethoxy]ethyl]azanium
CID 786818
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
2-benzhydryloxyethyl(trimethyl)azanium
CID 26536
2-[(4-chlorophenyl)-phenylmethoxy]ethyl-trimethylazanium
CID 5051949
3-(4-methylphenyl)-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]propan-1-amine
CID 121338178
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]cyclohexanamine
CID 23276329
2-[[(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 3549326
(2R)-2-[[(R)-(4-methylphenyl)-phenylmethoxy]methyl]oxirane
CID 2507782
bis(2-methyl-N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-1-phenylpropan-2-amine);oxalate
CID 21152509
1-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 54531771
3-[2-aminoethoxy-(4-methylphenyl)methyl]benzoic acid
CID 68723668
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide?
The IUPAC name of N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide (CID 20838241) is N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide.
What is the SMILES notation for N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide?
The canonical SMILES for N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide is Cc1ccc(C(OCC[N+](C)(C)[O-])c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide?
The InChIKey is SESJLJAGOXUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-9-11-17(12-10-15)18(16-7-5-4-6-8-16)21-14-13-19(2,3)20/h4-12,18H,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide?
N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide has a molecular weight of 285.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methylphenyl)-phenylmethoxy]ethanamine oxide is sourced from PubChem (CID 20838241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).