2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine

C17H28BrNO — CID 63474642

IUPAC2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine
SMILESCCCCC(CC)COC(CNC)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-4-6-7-14(5-2)13-20-17(12-19-3)15-8-10-16(18)11-9-15/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyMBOSUALECLIXEW-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.94
Rot. Bonds10

About 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine

2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine (PubChem CID 63474642) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine
PubChem CID63474642
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine
SMILESCCCCC(CC)COC(CNC)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO/c1-4-6-7-14(5-2)13-20-17(12-19-3)15-8-10-16(18)11-9-15/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyMBOSUALECLIXEW-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylhexoxy)-N-methyl-2-phenylethanamine
CID 62110716
2-(4-bromophenyl)-2-(2-butoxyethoxy)-N-methylethanamine
CID 62110378
2-(4-bromophenyl)-N-methyl-2-octoxyethanamine
CID 63476270
1-(4-bromophenyl)-1-(2-ethylhexoxy)butan-2-amine
CID 63460276
2-(4-bromophenyl)-2-(2-ethoxyethoxy)-N-methylethanamine
CID 55036521
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461
2-(4-bromophenyl)-2-(3-methoxypropoxy)-N-methylethanamine
CID 62106281
2-(4-bromophenyl)-2-(2-cyclopropylethoxy)-N-methylethanamine
CID 106204927
4-[2-bromo-1-(2-ethylhexoxy)ethyl]-1,2-dichlorobenzene
CID 30565
N-[2-(4-bromophenyl)-2-(2-methylpentoxy)ethyl]propan-1-amine
CID 103285218
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine (CID 63474642) is 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine is CCCCC(CC)COC(CNC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine?
The InChIKey is MBOSUALECLIXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-6-7-14(5-2)13-20-17(12-19-3)15-8-10-16(18)11-9-15/h8-11,14,17,19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine?
2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine has a molecular weight of 342.32 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine is sourced from PubChem (CID 63474642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).