N-(2-ethoxyethyl)-N-ethyl-3-methylaniline

C13H21NO — CID 15375291

IUPACN-(2-ethoxyethyl)-N-ethyl-3-methylaniline
SMILESCCOCCN(CC)c1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-4-14(9-10-15-5-2)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyIMNWQRSXIDSPTB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.86
Rot. Bonds6

About N-(2-ethoxyethyl)-N-ethyl-3-methylaniline

N-(2-ethoxyethyl)-N-ethyl-3-methylaniline (PubChem CID 15375291) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-3-methylaniline
PubChem CID15375291
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-3-methylaniline
SMILESCCOCCN(CC)c1cccc(C)c1
InChIInChI=1S/C13H21NO/c1-4-14(9-10-15-5-2)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyIMNWQRSXIDSPTB-UHFFFAOYSA-N
XLogP2.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-3-methylaniline?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-3-methylaniline (CID 15375291) is N-(2-ethoxyethyl)-N-ethyl-3-methylaniline.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-3-methylaniline?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-3-methylaniline is CCOCCN(CC)c1cccc(C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-3-methylaniline?
The InChIKey is IMNWQRSXIDSPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14(9-10-15-5-2)13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-3-methylaniline?
N-(2-ethoxyethyl)-N-ethyl-3-methylaniline has a molecular weight of 207.32 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-3-methylaniline is sourced from PubChem (CID 15375291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).