2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine

C15H22BrNO2 — CID 115817658

IUPAC2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)C1COC(C)C1
InChIInChI=1S/C15H22BrNO2/c1-10-6-12(9-19-10)14(17-2)8-11-7-13(16)4-5-15(11)18-3/h4-5,7,10,12,14,17H,6,8-9H2,1-3H3
InChIKeyZCJKDXHDXIZIQV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.01
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine

2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 115817658) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID115817658
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
SMILESCNC(Cc1cc(Br)ccc1OC)C1COC(C)C1
InChIInChI=1S/C15H22BrNO2/c1-10-6-12(9-19-10)14(17-2)8-11-7-13(16)4-5-15(11)18-3/h4-5,7,10,12,14,17H,6,8-9H2,1-3H3
InChIKeyZCJKDXHDXIZIQV-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290129
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)-N-ethylethanamine
CID 115816995
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
[2-(2-fluoro-3-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105334314
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115784886
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine (CID 115817658) is 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine is CNC(Cc1cc(Br)ccc1OC)C1COC(C)C1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is ZCJKDXHDXIZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10-6-12(9-19-10)14(17-2)8-11-7-13(16)4-5-15(11)18-3/h4-5,7,10,12,14,17H,6,8-9H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115817658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).