N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline

C16H26ClNO2 — CID 126575366

IUPACN-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
SMILESCCN(CCOC(C)COCCCl)c1cccc(C)c1
InChIInChI=1S/C16H26ClNO2/c1-4-18(16-7-5-6-14(2)12-16)9-11-20-15(3)13-19-10-8-17/h5-7,12,15H,4,8-11,13H2,1-3H3
InChIKeyWWDDAAAEWOPHQF-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.48
Rot. Bonds10

About N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline

N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline (PubChem CID 126575366) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
PubChem CID126575366
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC NameN-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
SMILESCCN(CCOC(C)COCCCl)c1cccc(C)c1
InChIInChI=1S/C16H26ClNO2/c1-4-18(16-7-5-6-14(2)12-16)9-11-20-15(3)13-19-10-8-17/h5-7,12,15H,4,8-11,13H2,1-3H3
InChIKeyWWDDAAAEWOPHQF-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840
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
diethyl-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethyl]-methylazanium
CID 153492918
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
2-[2-[2-[2-[2-(N-ethyl-3-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-dimethyl-propylazanium
CID 148560037
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
2-(N-ethyl-3-methylanilino)ethyl prop-2-enoate
CID 137371297
2-(N-ethylanilino)ethanol;2-(N-ethyl-3-methylanilino)ethanol
CID 67646691

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline (CID 126575366) is N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline is CCN(CCOC(C)COCCCl)c1cccc(C)c1.
What is the InChIKey of N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline?
The InChIKey is WWDDAAAEWOPHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-4-18(16-7-5-6-14(2)12-16)9-11-20-15(3)13-19-10-8-17/h5-7,12,15H,4,8-11,13H2,1-3H3.
What are the key properties of N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline?
N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline has a molecular weight of 299.84 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 126575366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).