2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine

C16H26BrNO — CID 55191674

IUPAC2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
SMILESCCCCC(CC)COC(CN)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-3-5-8-13(4-2)12-19-16(11-18)14-9-6-7-10-15(14)17/h6-7,9-10,13,16H,3-5,8,11-12,18H2,1-2H3
InChIKeyMULKEEUBOYDYNP-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.68
Rot. Bonds9

About 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine

2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine (PubChem CID 55191674) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
PubChem CID55191674
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
SMILESCCCCC(CC)COC(CN)c1ccccc1Br
InChIInChI=1S/C16H26BrNO/c1-3-5-8-13(4-2)12-19-16(11-18)14-9-6-7-10-15(14)17/h6-7,9-10,13,16H,3-5,8,11-12,18H2,1-2H3
InChIKeyMULKEEUBOYDYNP-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
CID 82004824
[1-(2-bromophenyl)-3-ethylheptyl]hydrazine
CID 105208587
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
2-(2-ethylhexoxy)-N-methyl-2-phenylethanamine
CID 62110716
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
CID 172726737
1-(2-bromophenyl)-3-ethyl-N-propylheptan-1-amine
CID 63415307
2-(4-bromophenyl)-2-(2-ethylhexoxy)-N-methylethanamine
CID 63474642
(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
CID 78944050

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine (CID 55191674) is 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine is CCCCC(CC)COC(CN)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine?
The InChIKey is MULKEEUBOYDYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-3-5-8-13(4-2)12-19-16(11-18)14-9-6-7-10-15(14)17/h6-7,9-10,13,16H,3-5,8,11-12,18H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine?
2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine has a molecular weight of 328.29 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine is sourced from PubChem (CID 55191674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).