(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine

C19H22N2O — CID 138045902

IUPAC(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine
SMILESN[C@@H]1CCO[C@H]1c1cncc(-c2cccc(C3CCC3)c2)c1
InChIInChI=1S/C19H22N2O/c20-18-7-8-22-19(18)17-10-16(11-21-12-17)15-6-2-5-14(9-15)13-3-1-4-13/h2,5-6,9-13,18-19H,1,3-4,7-8,20H2/t18-,19+/m1/s1
InChIKeyGHJAFYMVMVANFG-MOPGFXCFSA-N
MW294.40 g/mol
LogP3.80
Rot. Bonds3

About (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine

(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine (PubChem CID 138045902) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine
PubChem CID138045902
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine
SMILESN[C@@H]1CCO[C@H]1c1cncc(-c2cccc(C3CCC3)c2)c1
InChIInChI=1S/C19H22N2O/c20-18-7-8-22-19(18)17-10-16(11-21-12-17)15-6-2-5-14(9-15)13-3-1-4-13/h2,5-6,9-13,18-19H,1,3-4,7-8,20H2/t18-,19+/m1/s1
InChIKeyGHJAFYMVMVANFG-MOPGFXCFSA-N
XLogP3.80
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine?
The IUPAC name of (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine (CID 138045902) is (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine.
What is the SMILES notation for (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine?
The canonical SMILES for (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine is N[C@@H]1CCO[C@H]1c1cncc(-c2cccc(C3CCC3)c2)c1.
What is the InChIKey of (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine?
The InChIKey is GHJAFYMVMVANFG-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H22N2O/c20-18-7-8-22-19(18)17-10-16(11-21-12-17)15-6-2-5-14(9-15)13-3-1-4-13/h2,5-6,9-13,18-19H,1,3-4,7-8,20H2/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine?
(2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine has a molecular weight of 294.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[5-(3-cyclobutylphenyl)-3-pyridinyl]oxolan-3-amine is sourced from PubChem (CID 138045902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).