2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine

C12H17ClN2O — CID 106439671

IUPAC2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine
SMILESC/C(=C/Cl)COc1ccc(C)nc1CCN
InChIInChI=1S/C12H17ClN2O/c1-9(7-13)8-16-12-4-3-10(2)15-11(12)5-6-14/h3-4,7H,5-6,8,14H2,1-2H3/b9-7-
InChIKeyGPBOWLIZLUGDHO-CLFYSBASSA-N
MW240.73 g/mol
LogP2.41
Rot. Bonds5

About 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine

2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine (PubChem CID 106439671) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine
PubChem CID106439671
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine
SMILESC/C(=C/Cl)COc1ccc(C)nc1CCN
InChIInChI=1S/C12H17ClN2O/c1-9(7-13)8-16-12-4-3-10(2)15-11(12)5-6-14/h3-4,7H,5-6,8,14H2,1-2H3/b9-7-
InChIKeyGPBOWLIZLUGDHO-CLFYSBASSA-N
XLogP2.41
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methylpyridin-2-amine
CID 106436603
2-[3-(2-bromoprop-2-enoxy)-6-methyl-2-pyridinyl]ethanamine
CID 79168660
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
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-[(Z)-3-chloro-2-methylprop-2-enoxy]-4-methylaniline
CID 106436595
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine (CID 106439671) is 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine is C/C(=C/Cl)COc1ccc(C)nc1CCN.
What is the InChIKey of 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine?
The InChIKey is GPBOWLIZLUGDHO-CLFYSBASSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-9(7-13)8-16-12-4-3-10(2)15-11(12)5-6-14/h3-4,7H,5-6,8,14H2,1-2H3/b9-7-.
What are the key properties of 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine?
2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine has a molecular weight of 240.73 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-3-chloro-2-methylprop-2-enoxy]-6-methyl-2-pyridinyl]ethanamine is sourced from PubChem (CID 106439671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).