1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine

C12H17BrClNO — CID 105008140

IUPAC1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H17BrClNO/c1-3-15-12(8-16-4-2)10-7-9(13)5-6-11(10)14/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyUTKFAXZETPDQQN-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.79
Rot. Bonds6

About 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine

1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105008140) has the molecular formula C12H17BrClNO and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
PubChem CID105008140
Molecular FormulaC12H17BrClNO
Molecular Weight306.63 g/mol
Exact Mass305.02
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H17BrClNO/c1-3-15-12(8-16-4-2)10-7-9(13)5-6-11(10)14/h5-7,12,15H,3-4,8H2,1-2H3
InChIKeyUTKFAXZETPDQQN-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-(5-bromo-2-chlorophenyl)-N-ethyl-4-methylpentan-1-amine
CID 115834587
1-(5-bromo-2-chlorophenyl)-N-ethyloctan-1-amine
CID 115832368
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 105394830
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 105005522
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 63527751
N-[(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492925

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine (CID 105008140) is 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is UTKFAXZETPDQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNO/c1-3-15-12(8-16-4-2)10-7-9(13)5-6-11(10)14/h5-7,12,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine?
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 306.63 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105008140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).