2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine

C11H15BrN2O — CID 79168660

IUPAC2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
SMILESC=C(Br)COc1ccc(C)nc1CCN
InChIInChI=1S/C11H15BrN2O/c1-8(12)7-15-11-4-3-9(2)14-10(11)5-6-13/h3-4H,1,5-7,13H2,2H3
InChIKeyIAFLKDBOSGJVOA-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.18
Rot. Bonds5

About 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine

2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine (PubChem CID 79168660) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
PubChem CID79168660
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
SMILESC=C(Br)COc1ccc(C)nc1CCN
InChIInChI=1S/C11H15BrN2O/c1-8(12)7-15-11-4-3-9(2)14-10(11)5-6-13/h3-4H,1,5-7,13H2,2H3
InChIKeyIAFLKDBOSGJVOA-UHFFFAOYSA-N
XLogP2.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine
CID 106439671
2-[3-(3-ethoxypropoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169891
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-1-(azepan-1-yl)ethanone
CID 79164469
2-[3-(cyclopentylmethoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79169642
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644
methyl 3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]propanoate
CID 79168742
2-[6-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-2-pyridinyl]ethanamine
CID 79168989
2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
CID 79168987
3-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79168812
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
CID 106728413

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine (CID 79168660) is 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine is C=C(Br)COc1ccc(C)nc1CCN.
What is the InChIKey of 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine?
The InChIKey is IAFLKDBOSGJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8(12)7-15-11-4-3-9(2)14-10(11)5-6-13/h3-4H,1,5-7,13H2,2H3.
What are the key properties of 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine?
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine has a molecular weight of 271.16 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 79168660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).