N-[methoxymethoxy(phenyl)methyl]-N-methylaniline

C16H19NO2 — CID 118542303

IUPACN-[methoxymethoxy(phenyl)methyl]-N-methylaniline
SMILESCOCOC(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17(15-11-7-4-8-12-15)16(19-13-18-2)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3
InChIKeyMAXBTJOVDBNLMS-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.44
Rot. Bonds6

About N-[methoxymethoxy(phenyl)methyl]-N-methylaniline

N-[methoxymethoxy(phenyl)methyl]-N-methylaniline (PubChem CID 118542303) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[methoxymethoxy(phenyl)methyl]-N-methylaniline.

Molecular Properties

Compound NameN-[methoxymethoxy(phenyl)methyl]-N-methylaniline
PubChem CID118542303
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[methoxymethoxy(phenyl)methyl]-N-methylaniline
SMILESCOCOC(c1ccccc1)N(C)c1ccccc1
InChIInChI=1S/C16H19NO2/c1-17(15-11-7-4-8-12-15)16(19-13-18-2)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3
InChIKeyMAXBTJOVDBNLMS-UHFFFAOYSA-N
XLogP3.44
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[methoxymethoxy(phenyl)methyl]-N-methylaniline?
The IUPAC name of N-[methoxymethoxy(phenyl)methyl]-N-methylaniline (CID 118542303) is N-[methoxymethoxy(phenyl)methyl]-N-methylaniline.
What is the SMILES notation for N-[methoxymethoxy(phenyl)methyl]-N-methylaniline?
The canonical SMILES for N-[methoxymethoxy(phenyl)methyl]-N-methylaniline is COCOC(c1ccccc1)N(C)c1ccccc1.
What is the InChIKey of N-[methoxymethoxy(phenyl)methyl]-N-methylaniline?
The InChIKey is MAXBTJOVDBNLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(15-11-7-4-8-12-15)16(19-13-18-2)14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3.
What are the key properties of N-[methoxymethoxy(phenyl)methyl]-N-methylaniline?
N-[methoxymethoxy(phenyl)methyl]-N-methylaniline has a molecular weight of 257.33 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxymethoxy(phenyl)methyl]-N-methylaniline is sourced from PubChem (CID 118542303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).