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

C12H17BrClNO2 — CID 60685923

IUPAC2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C12H17BrClNO2/c1-2-15(5-7-16)6-8-17-12-4-3-10(14)9-11(12)13/h3-4,9,16H,2,5-8H2,1H3
InChIKeyFNJJDCKSTZVMLF-UHFFFAOYSA-N
MW322.63 g/mol
LogP2.80
Rot. Bonds7

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

2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol (PubChem CID 60685923) has the molecular formula C12H17BrClNO2 and a molecular weight of 322.63 g/mol. Its IUPAC name is 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
PubChem CID60685923
Molecular FormulaC12H17BrClNO2
Molecular Weight322.63 g/mol
Exact Mass321.01
IUPAC Name2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
SMILESCCN(CCO)CCOc1ccc(Cl)cc1Br
InChIInChI=1S/C12H17BrClNO2/c1-2-15(5-7-16)6-8-17-12-4-3-10(14)9-11(12)13/h3-4,9,16H,2,5-8H2,1H3
InChIKeyFNJJDCKSTZVMLF-UHFFFAOYSA-N
XLogP2.80
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromo-4-chlorophenoxy)ethyl-propylamino]ethanol
CID 60694635
2-[2-(2-bromo-4-chlorophenoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 63645272
6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
2-(2-bromo-4-chlorophenoxy)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106632604
(1R)-1-[5-chloro-2-[2-(diethylamino)ethoxy]phenyl]ethanol
CID 63364400
2-[2-(6-chloroquinolin-3-yl)oxyethyl-ethylamino]ethanol
CID 123802398
2-[(5-chloro-2-methoxyphenyl)methyl-ethylamino]ethanol
CID 60686064
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
CID 39291785
2-[3-(4-chlorophenoxy)propyl-ethylamino]ethanol
CID 60685925
5-chloro-2-[2-(diethylamino)ethoxy]benzonitrile
CID 22685106
2-[2-(2,4-dichlorophenoxy)ethyl-propan-2-ylamino]ethanol
CID 60691948
ethyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43365233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol?
The IUPAC name of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol (CID 60685923) is 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol.
What is the SMILES notation for 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol?
The canonical SMILES for 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol is CCN(CCO)CCOc1ccc(Cl)cc1Br.
What is the InChIKey of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol?
The InChIKey is FNJJDCKSTZVMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO2/c1-2-15(5-7-16)6-8-17-12-4-3-10(14)9-11(12)13/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of 2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol?
2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol has a molecular weight of 322.63 g/mol, XLogP of 2.80, 7 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-ethylamino]ethanol is sourced from PubChem (CID 60685923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).