N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine

C12H16Cl3NO2 — CID 2183680

IUPACN,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine
SMILESCN(C)CCOCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3NO2/c1-16(2)3-4-17-5-6-18-12-10(14)7-9(13)8-11(12)15/h7-8H,3-6H2,1-2H3
InChIKeyCMXRCYUGRLXSHQ-UHFFFAOYSA-N
MW312.62 g/mol
LogP3.60
Rot. Bonds7

About N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine

N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine (PubChem CID 2183680) has the molecular formula C12H16Cl3NO2 and a molecular weight of 312.62 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine
PubChem CID2183680
Molecular FormulaC12H16Cl3NO2
Molecular Weight312.62 g/mol
Exact Mass311.02
IUPAC NameN,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine
SMILESCN(C)CCOCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3NO2/c1-16(2)3-4-17-5-6-18-12-10(14)7-9(13)8-11(12)15/h7-8H,3-6H2,1-2H3
InChIKeyCMXRCYUGRLXSHQ-UHFFFAOYSA-N
XLogP3.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine (CID 2183680) is N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine is CN(C)CCOCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine?
The InChIKey is CMXRCYUGRLXSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3NO2/c1-16(2)3-4-17-5-6-18-12-10(14)7-9(13)8-11(12)15/h7-8H,3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine?
N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine has a molecular weight of 312.62 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethanamine is sourced from PubChem (CID 2183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).