1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

C16H24BrNO2 — CID 105138597

IUPAC1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO2/c1-3-18-16(10-12-6-8-20-9-7-12)14-11-13(19-2)4-5-15(14)17/h4-5,11-12,16,18H,3,6-10H2,1-2H3
InChIKeyHEZYMKHCXRNHES-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.92
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine

1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (PubChem CID 105138597) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
PubChem CID105138597
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
SMILESCCNC(CC1CCOCC1)c1cc(OC)ccc1Br
InChIInChI=1S/C16H24BrNO2/c1-3-18-16(10-12-6-8-20-9-7-12)14-11-13(19-2)4-5-15(14)17/h4-5,11-12,16,18H,3,6-10H2,1-2H3
InChIKeyHEZYMKHCXRNHES-UHFFFAOYSA-N
XLogP3.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2,5-dimethoxyphenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987375
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
1-(2-bromo-4-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846745
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
1-(2,4-dimethoxyphenyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846581
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847063
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
1-(2-bromo-5-methoxyphenyl)-2-ethoxy-N-ethylethanamine
CID 105164999
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine (CID 105138597) is 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is CCNC(CC1CCOCC1)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
The InChIKey is HEZYMKHCXRNHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-3-18-16(10-12-6-8-20-9-7-12)14-11-13(19-2)4-5-15(14)17/h4-5,11-12,16,18H,3,6-10H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine?
1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine has a molecular weight of 342.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).