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

C13H20BrNO — CID 105007898

IUPAC1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cc(Br)ccc1C
InChIInChI=1S/C13H20BrNO/c1-4-15-13(9-16-5-2)12-8-11(14)7-6-10(12)3/h6-8,13,15H,4-5,9H2,1-3H3
InChIKeyZQSRTFVHRSIMLL-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.44
Rot. Bonds6

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

1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105007898) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
PubChem CID105007898
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1cc(Br)ccc1C
InChIInChI=1S/C13H20BrNO/c1-4-15-13(9-16-5-2)12-8-11(14)7-6-10(12)3/h6-8,13,15H,4-5,9H2,1-3H3
InChIKeyZQSRTFVHRSIMLL-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
1-(2,4-dibromophenyl)-2-ethoxy-N-ethylethanamine
CID 107946286
1-(5-bromo-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-ethylethanamine
CID 105024448
[1-(4-bromo-2-methylphenyl)-2-ethoxyethyl]hydrazine
CID 105321151
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105050998
1-(5-bromo-2-methylphenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 115820342
1-(2,5-dibromophenyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207295
1-(2-bromofuran-3-yl)-2-ethoxy-N-ethylethanamine
CID 106858103
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine (CID 105007898) is 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is ZQSRTFVHRSIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-15-13(9-16-5-2)12-8-11(14)7-6-10(12)3/h6-8,13,15H,4-5,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine?
1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 286.21 g/mol, XLogP of 3.44, 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-methylphenyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105007898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).