N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine

C11H24ClNO2 — CID 63665039

IUPACN-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)CCOCCCl
InChIInChI=1S/C11H24ClNO2/c1-4-11(2)13(6-9-14-3)7-10-15-8-5-12/h11H,4-10H2,1-3H3
InChIKeySWSQJKDIRNQFEM-UHFFFAOYSA-N
MW237.77 g/mol
LogP1.99
Rot. Bonds10

About N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine

N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine (PubChem CID 63665039) has the molecular formula C11H24ClNO2 and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine
PubChem CID63665039
Molecular FormulaC11H24ClNO2
Molecular Weight237.77 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(C)N(CCOC)CCOCCCl
InChIInChI=1S/C11H24ClNO2/c1-4-11(2)13(6-9-14-3)7-10-15-8-5-12/h11H,4-10H2,1-3H3
InChIKeySWSQJKDIRNQFEM-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine (CID 63665039) is N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine is CCC(C)N(CCOC)CCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is SWSQJKDIRNQFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2/c1-4-11(2)13(6-9-14-3)7-10-15-8-5-12/h11H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine?
N-[2-(2-chloroethoxy)ethyl]-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 1.99, 10 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-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 63665039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).