2-[3-(3,4-dichlorophenoxy)propylamino]ethanol

C11H15Cl2NO2 — CID 2581098

IUPAC2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
SMILESOCCNCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c12-10-3-2-9(8-11(10)13)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2
InChIKeyKNTPVCJYUDVVFD-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.34
Rot. Bonds7

About 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol

2-[3-(3,4-dichlorophenoxy)propylamino]ethanol (PubChem CID 2581098) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
PubChem CID2581098
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
SMILESOCCNCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2NO2/c12-10-3-2-9(8-11(10)13)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2
InChIKeyKNTPVCJYUDVVFD-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.34
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-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
2-[3-(2,5-dichlorophenoxy)propylamino]ethanol
CID 2865584
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-[2-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
2-[2-[6-[2-(2-hydroxyethylamino)ethoxy]acridin-3-yl]oxyethylamino]ethanol;trihydrochloride
CID 20553469
3-(3,4-dichlorophenoxy)propane-1-thiol
CID 79019672
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol?
The IUPAC name of 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol (CID 2581098) is 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol is OCCNCCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol?
The InChIKey is KNTPVCJYUDVVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2/c12-10-3-2-9(8-11(10)13)16-7-1-4-14-5-6-15/h2-3,8,14-15H,1,4-7H2.
What are the key properties of 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol?
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol has a molecular weight of 264.15 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenoxy)propylamino]ethanol is sourced from PubChem (CID 2581098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).