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

C11H18N2O — CID 143563136

IUPAC(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
SMILESCC[C@H](C)Oc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C11H18N2O/c1-4-8(2)14-10-5-6-11(9(3)12)13-7-10/h5-9H,4,12H2,1-3H3/t8-,9+/m0/s1
InChIKeyFXGGDCIPNNCMEX-DTWKUNHWSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds4

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

(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine (PubChem CID 143563136) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
PubChem CID143563136
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine
SMILESCC[C@H](C)Oc1ccc([C@@H](C)N)nc1
InChIInChI=1S/C11H18N2O/c1-4-8(2)14-10-5-6-11(9(3)12)13-7-10/h5-9H,4,12H2,1-3H3/t8-,9+/m0/s1
InChIKeyFXGGDCIPNNCMEX-DTWKUNHWSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124422
1-(5-butan-2-yloxy-2-pyridinyl)ethanamine
CID 83124338
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]ethanamine
CID 83127037
1-(5-propan-2-yloxy-2-pyridinyl)ethanamine
CID 67997141
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-[5-(4-methylpentan-2-yloxy)-2-pyridinyl]propan-1-amine
CID 112584730
(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine (CID 143563136) is (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine is CC[C@H](C)Oc1ccc([C@@H](C)N)nc1.
What is the InChIKey of (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine?
The InChIKey is FXGGDCIPNNCMEX-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-8(2)14-10-5-6-11(9(3)12)13-7-10/h5-9H,4,12H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine?
(1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(2S)-butan-2-yl]oxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 143563136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).