N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine

C12H17Cl2NO2 — CID 62599266

IUPACN-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine
SMILESCCOCCNCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-16-8-6-15-7-9-17-12-10(13)4-3-5-11(12)14/h3-5,15H,2,6-9H2,1H3
InChIKeyWIAUQJWPWCUULU-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.00
Rot. Bonds8

About N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine

N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine (PubChem CID 62599266) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine
PubChem CID62599266
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC NameN-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine
SMILESCCOCCNCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C12H17Cl2NO2/c1-2-16-8-6-15-7-9-17-12-10(13)4-3-5-11(12)14/h3-5,15H,2,6-9H2,1H3
InChIKeyWIAUQJWPWCUULU-UHFFFAOYSA-N
XLogP3.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dichlorophenoxy)-N-ethylpropan-1-amine
CID 60800210
N-[2-(2,6-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 60690736
2-(2,6-dichlorophenoxy)ethylhydrazine
CID 3798878
3-chloro-2-(3-ethoxypropoxy)benzaldehyde
CID 112611490
2-[2-(2,6-dichlorophenoxy)ethylamino]-2-ethylbutanoic acid
CID 79810253
N-[2-[2-(2-chloro-6-methylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2869886
3-chloro-N-(2-ethoxyethyl)-2-fluoroaniline
CID 43387895
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine
CID 62574531
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N-[(4-bromothiophen-2-yl)methyl]-2-(2,6-dichlorophenoxy)ethanamine
CID 63517673
4-ethoxy-N-[2-(2,4,6-tribromophenoxy)ethyl]butan-1-amine
CID 62572377
3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine?
The IUPAC name of N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine (CID 62599266) is N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine.
What is the SMILES notation for N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine?
The canonical SMILES for N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine is CCOCCNCCOc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine?
The InChIKey is WIAUQJWPWCUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-2-16-8-6-15-7-9-17-12-10(13)4-3-5-11(12)14/h3-5,15H,2,6-9H2,1H3.
What are the key properties of N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine?
N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine has a molecular weight of 278.18 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenoxy)ethyl]-2-ethoxyethanamine is sourced from PubChem (CID 62599266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).