2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane

C15H33Cl2NO4 — CID 170630324

IUPAC2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
SMILESCCl.NCCOCCOCCOCCOCCCCCCCl
InChIInChI=1S/C14H30ClNO4.CH3Cl/c15-5-3-1-2-4-7-17-9-11-19-13-14-20-12-10-18-8-6-16;1-2/h1-14,16H2;1H3
InChIKeyNPYDIEKTKRNAFE-UHFFFAOYSA-N
MW362.34 g/mol
LogP2.67
Rot. Bonds17

About 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane

2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane (PubChem CID 170630324) has the molecular formula C15H33Cl2NO4 and a molecular weight of 362.34 g/mol. Its IUPAC name is 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane.

Molecular Properties

Compound Name2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
PubChem CID170630324
Molecular FormulaC15H33Cl2NO4
Molecular Weight362.34 g/mol
Exact Mass361.18
IUPAC Name2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane
SMILESCCl.NCCOCCOCCOCCOCCCCCCCl
InChIInChI=1S/C14H30ClNO4.CH3Cl/c15-5-3-1-2-4-7-17-9-11-19-13-14-20-12-10-18-8-6-16;1-2/h1-14,16H2;1H3
InChIKeyNPYDIEKTKRNAFE-UHFFFAOYSA-N
XLogP2.67
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane with MolForge

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

Launch Full Analysis

Related Compounds

1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
1-chloro-5-(2-methoxyethoxy)pentane
CID 43348436
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
1-chloro-6-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]hexane
CID 89239780
5-(2-aminoethoxy)pentan-1-amine
CID 58473832
4-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]butan-1-amine
CID 22901826
1-(5-chloropentoxy)octane
CID 43348463
4-(2-aminoethoxy)butan-1-amine;ethane
CID 171066196
1-chloro-6-[2-(3-methylsulfanylpropoxy)ethoxy]hexane
CID 126668249
1-chloro-14-ethoxytetradecane
CID 173330502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane?
The IUPAC name of 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane (CID 170630324) is 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane.
What is the SMILES notation for 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane?
The canonical SMILES for 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane is CCl.NCCOCCOCCOCCOCCCCCCCl.
What is the InChIKey of 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane?
The InChIKey is NPYDIEKTKRNAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClNO4.CH3Cl/c15-5-3-1-2-4-7-17-9-11-19-13-14-20-12-10-18-8-6-16;1-2/h1-14,16H2;1H3.
What are the key properties of 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane?
2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane has a molecular weight of 362.34 g/mol, XLogP of 2.67, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethanamine;chloromethane is sourced from PubChem (CID 170630324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).