2-(3,4-dichlorophenoxy)-N-ethylethanamine

C10H13Cl2NO — CID 6457952

IUPAC2-(3,4-dichlorophenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-2-13-5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyRWMNJLIPRDKKJX-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.98
Rot. Bonds5

About 2-(3,4-dichlorophenoxy)-N-ethylethanamine

2-(3,4-dichlorophenoxy)-N-ethylethanamine (PubChem CID 6457952) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-ethylethanamine
PubChem CID6457952
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name2-(3,4-dichlorophenoxy)-N-ethylethanamine
SMILESCCNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO/c1-2-13-5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyRWMNJLIPRDKKJX-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
2-(4-chlorophenoxy)-N-ethylethanamine;hydrochloride
CID 75531594
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
N-[(3-chloro-4-methylphenyl)methyl]-2-(3,4-dichlorophenoxy)ethanamine
CID 67864198
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
4-(4-chloro-3-ethylphenoxy)-N-ethylbutan-1-amine
CID 62484830
2-[2-[(3,4-dichlorophenoxy)methyl]phenyl]-N-ethylethanamine
CID 115464941
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
2-(3,4-dichlorophenoxy)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 67877433

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-ethylethanamine?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-ethylethanamine (CID 6457952) is 2-(3,4-dichlorophenoxy)-N-ethylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-ethylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-ethylethanamine is CCNCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-ethylethanamine?
The InChIKey is RWMNJLIPRDKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-2-13-5-6-14-8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 2-(3,4-dichlorophenoxy)-N-ethylethanamine?
2-(3,4-dichlorophenoxy)-N-ethylethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-ethylethanamine is sourced from PubChem (CID 6457952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).