2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol

C13H19BrClNO2 — CID 60694635

IUPAC2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol
SMILESCCCN(CCO)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C13H19BrClNO2/c1-2-5-16(6-8-17)7-9-18-13-4-3-11(15)10-12(13)14/h3-4,10,17H,2,5-9H2,1H3
InChIKeyGZEINMUVEYXHIV-UHFFFAOYSA-N
MW336.66 g/mol
LogP3.19
Rot. Bonds8

About 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol

2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol (PubChem CID 60694635) has the molecular formula C13H19BrClNO2 and a molecular weight of 336.66 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol
PubChem CID60694635
Molecular FormulaC13H19BrClNO2
Molecular Weight336.66 g/mol
Exact Mass335.03
IUPAC Name2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol
SMILESCCCN(CCO)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C13H19BrClNO2/c1-2-5-16(6-8-17)7-9-18-13-4-3-11(15)10-12(13)14/h3-4,10,17H,2,5-9H2,1H3
InChIKeyGZEINMUVEYXHIV-UHFFFAOYSA-N
XLogP3.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
CID 60685923
2-[2-(2-bromo-4-chlorophenoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 63645272
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
N-[2-(4-chlorophenoxy)ethyl]-N-propylpropan-1-amine
CID 5261961
2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106632604
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
ethyl 4-(2-bromo-4-chlorophenoxy)butanoate
CID 91657428
methyl 3-[2-(2-bromo-4-chlorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60971207
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
CID 30981796

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol?
The IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol (CID 60694635) is 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol?
The canonical SMILES for 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol is CCCN(CCO)CCOc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol?
The InChIKey is GZEINMUVEYXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO2/c1-2-5-16(6-8-17)7-9-18-13-4-3-11(15)10-12(13)14/h3-4,10,17H,2,5-9H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol?
2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol has a molecular weight of 336.66 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol is sourced from PubChem (CID 60694635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).