2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride

C10H14Cl3NO2 — CID 2923917

IUPAC2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride
SMILESCl.OCCNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2.ClH/c11-9-2-1-8(7-10(9)12)15-6-4-13-3-5-14;/h1-2,7,13-14H,3-6H2;1H
InChIKeyHUUBYEGMSWXKRN-UHFFFAOYSA-N
MW286.59 g/mol
LogP2.38
Rot. Bonds6

About 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride

2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride (PubChem CID 2923917) has the molecular formula C10H14Cl3NO2 and a molecular weight of 286.59 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride
PubChem CID2923917
Molecular FormulaC10H14Cl3NO2
Molecular Weight286.59 g/mol
Exact Mass285.01
IUPAC Name2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride
SMILESCl.OCCNCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2.ClH/c11-9-2-1-8(7-10(9)12)15-6-4-13-3-5-14;/h1-2,7,13-14H,3-6H2;1H
InChIKeyHUUBYEGMSWXKRN-UHFFFAOYSA-N
XLogP2.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.59
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Fenmetozole
CID 32049
4-[2-(3,4-Dichlorophenoxy)ethyl]morpholine
CID 803039
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10315310
[2-(3-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10733406
2-[3-(2,5-Dichlorophenoxy)propylamino]ethanol
CID 2865584
2-((3-(2,3-Dichlorophenoxy)propyl)amino)ethanol
CID 2250975
2-[2-(4-Chlorophenoxy)propylamino]acetic acid
CID 10356287
1-(2-(4-Chlorophenoxy)ethoxy)-3-(isopropylamino)propan-2-ol hydrochloride
CID 2843901
Fenmetozole Hydrochloride
CID 32048
1-(2-Aminoethoxy)-4-chlorobenzene hydrochloride
CID 16247253
(2-(4-Chlorophenoxy)ethyl)(methyl)amine
CID 295966
3-(3,4-dichlorophenoxy)-N,N-diethyl-1-propanamine
CID 2296510

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
The IUPAC name of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride (CID 2923917) is 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride is Cl.OCCNCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
The InChIKey is HUUBYEGMSWXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2.ClH/c11-9-2-1-8(7-10(9)12)15-6-4-13-3-5-14;/h1-2,7,13-14H,3-6H2;1H.
What are the key properties of 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride?
2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride has a molecular weight of 286.59 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorophenoxy)ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 2923917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).