(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine

C11H18N2O — CID 83124084

IUPAC(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3/t8-/m0/s1
InChIKeyLXVRMAKWEDQOAN-QMMMGPOBSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds2

About (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine

(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine (PubChem CID 83124084) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
PubChem CID83124084
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
SMILESC[C@H](N)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3/t8-/m0/s1
InChIKeyLXVRMAKWEDQOAN-QMMMGPOBSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine
CID 83123998
5-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyridine
CID 59278573
2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine
CID 163434443
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124338
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
CID 143563136
(1S)-1-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]ethanamine
CID 83123322

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine (CID 83124084) is (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine is C[C@H](N)c1ccc(OC(C)(C)C)cn1.
What is the InChIKey of (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
The InChIKey is LXVRMAKWEDQOAN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,12H2,1-4H3/t8-/m0/s1.
What are the key properties of (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine?
(1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).