N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine

C11H24ClNO2 — CID 65023905

IUPACN-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCCOCCCl
InChIInChI=1S/C11H24ClNO2/c1-11(2)3-7-14-9-5-13-6-10-15-8-4-12/h11,13H,3-10H2,1-2H3
InChIKeyIEBZTGNAWVQTOS-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.89
Rot. Bonds11

About N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine

N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine (PubChem CID 65023905) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine
PubChem CID65023905
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCCOCCCl
InChIInChI=1S/C11H24ClNO2/c1-11(2)3-7-14-9-5-13-6-10-15-8-4-12/h11,13H,3-10H2,1-2H3
InChIKeyIEBZTGNAWVQTOS-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine (CID 65023905) is N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine is CC(C)CCOCCNCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine?
The InChIKey is IEBZTGNAWVQTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-11(2)3-7-14-9-5-13-6-10-15-8-4-12/h11,13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine?
N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine has a molecular weight of 237.77 g/mol, XLogP of 1.89, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 65023905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).