N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine

C9H20ClNO3 — CID 104567151

IUPACN-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCOCCOCCOCCNCCCl
InChIInChI=1S/C9H20ClNO3/c1-12-6-7-14-9-8-13-5-4-11-3-2-10/h11H,2-9H2,1H3
InChIKeyZASRBABTAWLLNQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP0.49
Rot. Bonds11

About N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine

N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (PubChem CID 104567151) has the molecular formula C9H20ClNO3 and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
PubChem CID104567151
Molecular FormulaC9H20ClNO3
Molecular Weight225.72 g/mol
Exact Mass225.11
IUPAC NameN-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
SMILESCOCCOCCOCCNCCCl
InChIInChI=1S/C9H20ClNO3/c1-12-6-7-14-9-8-13-5-4-11-3-2-10/h11H,2-9H2,1H3
InChIKeyZASRBABTAWLLNQ-UHFFFAOYSA-N
XLogP0.49
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloroethyl)-2-methoxyethanamine
CID 64980906
6-chloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]hexan-1-amine
CID 114008238
2-methoxy-N-[2-[2-[2-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]ethanamine
CID 102574909
bis(1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane);2-methoxy-N-(2-methoxyethyl)ethanamine
CID 87204076
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
2-[2-(2-methoxyethoxy)ethoxy]-N-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]ethanamine
CID 130284119
N-[2-(2-chloroethoxy)ethyl]-4-methoxybutan-1-amine
CID 104649724
3-(2-chloroethoxy)-N-[2-(3-methoxypropoxy)ethyl]propan-1-amine
CID 106306027
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 81106817
3-chloro-4-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butan-1-amine
CID 106242330
N-[2-(2-methoxyethoxy)ethyl]dodecan-1-amine
CID 63492773

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The IUPAC name of N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine (CID 104567151) is N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is COCCOCCOCCNCCCl.
What is the InChIKey of N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
The InChIKey is ZASRBABTAWLLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO3/c1-12-6-7-14-9-8-13-5-4-11-3-2-10/h11H,2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine?
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine has a molecular weight of 225.72 g/mol, XLogP of 0.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine is sourced from PubChem (CID 104567151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).