N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline

C15H25NO2 — CID 131710840

IUPACN-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
SMILESCCOC(C)OCCN(CC)c1cccc(C)c1
InChIInChI=1S/C15H25NO2/c1-5-16(10-11-18-14(4)17-6-2)15-9-7-8-13(3)12-15/h7-9,12,14H,5-6,10-11H2,1-4H3
InChIKeyYIKOYBDUTWWBTO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.22
Rot. Bonds8

About N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline

N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline (PubChem CID 131710840) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
PubChem CID131710840
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
SMILESCCOC(C)OCCN(CC)c1cccc(C)c1
InChIInChI=1S/C15H25NO2/c1-5-16(10-11-18-14(4)17-6-2)15-9-7-8-13(3)12-15/h7-9,12,14H,5-6,10-11H2,1-4H3
InChIKeyYIKOYBDUTWWBTO-UHFFFAOYSA-N
XLogP3.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.22
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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Related Compounds

N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
CID 126575366
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-ethyl-3-methylaniline
CID 91719512
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline (CID 131710840) is N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline is CCOC(C)OCCN(CC)c1cccc(C)c1.
What is the InChIKey of N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline?
The InChIKey is YIKOYBDUTWWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16(10-11-18-14(4)17-6-2)15-9-7-8-13(3)12-15/h7-9,12,14H,5-6,10-11H2,1-4H3.
What are the key properties of N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline?
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline has a molecular weight of 251.37 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 131710840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).