(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol

C13H22N2O2 — CID 81057807

IUPAC(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol
SMILESCC(C)OCCN(C)c1cc([C@@H](C)O)ccn1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-8-7-15(4)13-9-12(11(3)16)5-6-14-13/h5-6,9-11,16H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyWBLYPAYQDGIIKI-LLVKDONJSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds6

About (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol

(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol (PubChem CID 81057807) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol
PubChem CID81057807
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol
SMILESCC(C)OCCN(C)c1cc([C@@H](C)O)ccn1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-8-7-15(4)13-9-12(11(3)16)5-6-14-13/h5-6,9-11,16H,7-8H2,1-4H3/t11-/m1/s1
InChIKeyWBLYPAYQDGIIKI-LLVKDONJSA-N
XLogP2.00
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol (CID 81057807) is (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol is CC(C)OCCN(C)c1cc([C@@H](C)O)ccn1.
What is the InChIKey of (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol?
The InChIKey is WBLYPAYQDGIIKI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)17-8-7-15(4)13-9-12(11(3)16)5-6-14-13/h5-6,9-11,16H,7-8H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol?
(1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[methyl(2-propan-2-yloxyethyl)amino]-4-pyridinyl]ethanol is sourced from PubChem (CID 81057807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).