2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine

C13H20BrNO — CID 60905415

IUPAC2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
SMILESCC(C)CCOc1ccc(Br)cc1CCN
InChIInChI=1S/C13H20BrNO/c1-10(2)6-8-16-13-4-3-12(14)9-11(13)5-7-15/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyJGDOBYYPBKPLQI-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.38
Rot. Bonds6

About 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine

2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine (PubChem CID 60905415) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
PubChem CID60905415
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
SMILESCC(C)CCOc1ccc(Br)cc1CCN
InChIInChI=1S/C13H20BrNO/c1-10(2)6-8-16-13-4-3-12(14)9-11(13)5-7-15/h3-4,9-10H,5-8,15H2,1-2H3
InChIKeyJGDOBYYPBKPLQI-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-heptoxyphenyl)ethanamine
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2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
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2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 60905780
5-bromo-2-(3-methylbutoxy)aniline
CID 26190377
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
2-[5-bromo-2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 63774428
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
5-bromo-2-(3-methylbutoxy)benzamide
CID 67555588
6-[2-(2-aminoethyl)-4-bromophenoxy]-2,2-dimethylhexanenitrile
CID 106713599
5-bromo-2-(3-methylbutoxy)benzonitrile
CID 83146127
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine (CID 60905415) is 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine is CC(C)CCOc1ccc(Br)cc1CCN.
What is the InChIKey of 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine?
The InChIKey is JGDOBYYPBKPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-10(2)6-8-16-13-4-3-12(14)9-11(13)5-7-15/h3-4,9-10H,5-8,15H2,1-2H3.
What are the key properties of 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine?
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine has a molecular weight of 286.21 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine is sourced from PubChem (CID 60905415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).