N,N-diethoxy-2-methylaniline

C11H17NO2 — CID 57156953

IUPACN,N-diethoxy-2-methylaniline
SMILESCCON(OCC)c1ccccc1C
InChIInChI=1S/C11H17NO2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyOJUOITBHMFDYIC-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.70
Rot. Bonds5

About N,N-diethoxy-2-methylaniline

N,N-diethoxy-2-methylaniline (PubChem CID 57156953) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N,N-diethoxy-2-methylaniline.

Molecular Properties

Compound NameN,N-diethoxy-2-methylaniline
PubChem CID57156953
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN,N-diethoxy-2-methylaniline
SMILESCCON(OCC)c1ccccc1C
InChIInChI=1S/C11H17NO2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3
InChIKeyOJUOITBHMFDYIC-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-propylaniline
CID 69435269
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
N-ethyl-N-methanidyl-2-methylaniline;tungsten(2+)
CID 176862930
2-methyl-N-(2-methylphenyl)-N-phosphanylaniline
CID 158300974
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
1,2-dimethyl-1-(2-methylphenyl)hydrazine;ethane;propane
CID 176660068
N-(4-tert-butylphenyl)-N-ethyl-2-methylaniline
CID 142467015
2-(N-ethyl-2-methylanilino)-1-phenylbutan-1-ol
CID 63472847
ethyl 2-(dipropoxyamino)benzoate
CID 140996498
N-(4-tert-butylphenyl)-N,2-dimethylaniline
CID 70891346
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
diethyl 2-(N-benzoyl-2-methylanilino)propanedioate
CID 13130439

Frequently Asked Questions

What is the IUPAC name of N,N-diethoxy-2-methylaniline?
The IUPAC name of N,N-diethoxy-2-methylaniline (CID 57156953) is N,N-diethoxy-2-methylaniline.
What is the SMILES notation for N,N-diethoxy-2-methylaniline?
The canonical SMILES for N,N-diethoxy-2-methylaniline is CCON(OCC)c1ccccc1C.
What is the InChIKey of N,N-diethoxy-2-methylaniline?
The InChIKey is OJUOITBHMFDYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-13-12(14-5-2)11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3.
What are the key properties of N,N-diethoxy-2-methylaniline?
N,N-diethoxy-2-methylaniline has a molecular weight of 195.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethoxy-2-methylaniline is sourced from PubChem (CID 57156953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).