N-(2,2-dimethoxyethyl)-N-methylaniline

C11H17NO2 — CID 15535037

IUPACN-(2,2-dimethoxyethyl)-N-methylaniline
SMILESCOC(CN(C)c1ccccc1)OC
InChIInChI=1S/C11H17NO2/c1-12(9-11(13-2)14-3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyDOUCWVQPDVIRJL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-N-methylaniline

N-(2,2-dimethoxyethyl)-N-methylaniline (PubChem CID 15535037) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-methylaniline
PubChem CID15535037
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(2,2-dimethoxyethyl)-N-methylaniline
SMILESCOC(CN(C)c1ccccc1)OC
InChIInChI=1S/C11H17NO2/c1-12(9-11(13-2)14-3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyDOUCWVQPDVIRJL-UHFFFAOYSA-N
XLogP1.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
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-(2,2-dimethoxyethyl)-N-methylaniline?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-methylaniline (CID 15535037) is N-(2,2-dimethoxyethyl)-N-methylaniline.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-methylaniline?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-methylaniline is COC(CN(C)c1ccccc1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-methylaniline?
The InChIKey is DOUCWVQPDVIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(9-11(13-2)14-3)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-methylaniline?
N-(2,2-dimethoxyethyl)-N-methylaniline has a molecular weight of 195.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-methylaniline is sourced from PubChem (CID 15535037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).