2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride

C11H15Cl3NO2- — CID 71297106

IUPAC2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
SMILESOCCNCCCOc1cccc(Cl)c1Cl.[Cl-]
InChIInChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H/p-1
InChIKeyGFCJFYSIPRIHKT-UHFFFAOYSA-M
MW299.60 g/mol
LogP-0.65
Rot. Bonds7

About 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride

2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride (PubChem CID 71297106) has the molecular formula C11H15Cl3NO2- and a molecular weight of 299.60 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
PubChem CID71297106
Molecular FormulaC11H15Cl3NO2-
Molecular Weight299.60 g/mol
Exact Mass298.02
IUPAC Name2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
SMILESOCCNCCCOc1cccc(Cl)c1Cl.[Cl-]
InChIInChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H/p-1
InChIKeyGFCJFYSIPRIHKT-UHFFFAOYSA-M
XLogP-0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 5-0.65
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

N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
2-[2-(2,3-dichlorophenoxy)ethylamino]acetic acid
CID 94694082
2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
CID 2865584
N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
2-[3-(2,3-dimethoxyphenoxy)propylamino]ethanol
CID 39260375
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
2-[2-(2,3-dichlorophenoxy)ethylamino]guanidine
CID 95469367
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
3-[3-[3-(2,3-dihydroxyphenoxy)propylamino]propoxy]benzene-1,2-diol
CID 14815710

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride?
The IUPAC name of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride (CID 71297106) is 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride.
What is the SMILES notation for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride?
The canonical SMILES for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride is OCCNCCCOc1cccc(Cl)c1Cl.[Cl-].
What is the InChIKey of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride?
The InChIKey is GFCJFYSIPRIHKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H15Cl2NO2.ClH/c12-9-3-1-4-10(11(9)13)16-8-2-5-14-6-7-15;/h1,3-4,14-15H,2,5-8H2;1H/p-1.
What are the key properties of 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride?
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride has a molecular weight of 299.60 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride is sourced from PubChem (CID 71297106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).