2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine

C11H16BrNO — CID 60905780

IUPAC2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(Br)cc1CCN
InChIInChI=1S/C11H16BrNO/c1-8(2)14-11-4-3-10(12)7-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeySSVRQTQTMDRCFI-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.74
Rot. Bonds4

About 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine

2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine (PubChem CID 60905780) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
PubChem CID60905780
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(Br)cc1CCN
InChIInChI=1S/C11H16BrNO/c1-8(2)14-11-4-3-10(12)7-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3
InChIKeySSVRQTQTMDRCFI-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
CID 60905305
2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
CID 62264353
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopentylpropanamide
CID 60905187
2-(5-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 60905064
[5-bromo-2-(3-methylbutan-2-yloxy)phenyl]methanamine
CID 114889945
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
(2R)-1-[(5-bromo-2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51996904
(5-bromo-2-propan-2-yloxyphenyl)methyl-prop-2-enylazanium
CID 7390206

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine (CID 60905780) is 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SSVRQTQTMDRCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-8(2)14-11-4-3-10(12)7-9(11)5-6-13/h3-4,7-8H,5-6,13H2,1-2H3.
What are the key properties of 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine?
2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine has a molecular weight of 258.16 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 60905780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).