N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine

C11H24ClNO3 — CID 63665043

IUPACN-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CCOCCCl)C(C)COC
InChIInChI=1S/C11H24ClNO3/c1-11(10-15-3)13(5-8-14-2)6-9-16-7-4-12/h11H,4-10H2,1-3H3
InChIKeyPDOWGQFGTUXJMB-UHFFFAOYSA-N
MW253.77 g/mol
LogP1.23
Rot. Bonds11

About N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine

N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (PubChem CID 63665043) has the molecular formula C11H24ClNO3 and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
PubChem CID63665043
Molecular FormulaC11H24ClNO3
Molecular Weight253.77 g/mol
Exact Mass253.14
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CCOCCCl)C(C)COC
InChIInChI=1S/C11H24ClNO3/c1-11(10-15-3)13(5-8-14-2)6-9-16-7-4-12/h11H,4-10H2,1-3H3
InChIKeyPDOWGQFGTUXJMB-UHFFFAOYSA-N
XLogP1.23
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine (CID 63665043) is N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is COCCN(CCOCCCl)C(C)COC.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is PDOWGQFGTUXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO3/c1-11(10-15-3)13(5-8-14-2)6-9-16-7-4-12/h11H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine?
N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 253.77 g/mol, XLogP of 1.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 63665043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).