N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine

C9H20ClNO2 — CID 63666499

IUPACN-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CCOCCCl
InChIInChI=1S/C9H20ClNO2/c1-3-11(5-8-12-2)6-9-13-7-4-10/h3-9H2,1-2H3
InChIKeyHNEWWVSNPVHKTE-UHFFFAOYSA-N
MW209.72 g/mol
LogP1.21
Rot. Bonds9

About N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine

N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine (PubChem CID 63666499) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
PubChem CID63666499
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine
SMILESCCN(CCOC)CCOCCCl
InChIInChI=1S/C9H20ClNO2/c1-3-11(5-8-12-2)6-9-13-7-4-10/h3-9H2,1-2H3
InChIKeyHNEWWVSNPVHKTE-UHFFFAOYSA-N
XLogP1.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 51.21
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-(2-chloroethoxy)ethyl]-N-ethylbutan-1-amine
CID 63666275
5-chloro-N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 61446826
N-ethyl-N-(2-hexoxyethyl)-2-methoxyethanamine
CID 145404707
N-[2-(2-bromoethoxy)ethyl]-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 114263721
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
N-ethyl-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 143003406
3-bromo-N-ethyl-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 103184049
ethane;N-ethyl-2-methoxy-N-[2-[2-[2-[2-(2,2,4,4-tetramethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 177319371
N-[2-[bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]-N',N'-bis[2-[2-[bis(2-methoxyethyl)amino]ethyl-(2-methoxyethyl)amino]ethyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl-(2-methoxyethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 140767739
ethane;N-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 176555082
N-(2-chloroethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 113427470

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine (CID 63666499) is N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine is CCN(CCOC)CCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine?
The InChIKey is HNEWWVSNPVHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO2/c1-3-11(5-8-12-2)6-9-13-7-4-10/h3-9H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine?
N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine has a molecular weight of 209.72 g/mol, XLogP of 1.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 63666499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).