(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol

C15H23NO2 — CID 118038763

IUPAC(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol
SMILESCCN(c1ccccc1)[C@@H]1COC(C)(C)C[C@H]1O
InChIInChI=1S/C15H23NO2/c1-4-16(12-8-6-5-7-9-12)13-11-18-15(2,3)10-14(13)17/h5-9,13-14,17H,4,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyBYHZDPLGLHSMCC-ZIAGYGMSSA-N
MW249.35 g/mol
LogP2.44
Rot. Bonds3

About (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol

(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol (PubChem CID 118038763) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol.

Molecular Properties

Compound Name(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol
PubChem CID118038763
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol
SMILESCCN(c1ccccc1)[C@@H]1COC(C)(C)C[C@H]1O
InChIInChI=1S/C15H23NO2/c1-4-16(12-8-6-5-7-9-12)13-11-18-15(2,3)10-14(13)17/h5-9,13-14,17H,4,10-11H2,1-3H3/t13-,14-/m1/s1
InChIKeyBYHZDPLGLHSMCC-ZIAGYGMSSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol?
The IUPAC name of (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol (CID 118038763) is (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol.
What is the SMILES notation for (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol?
The canonical SMILES for (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol is CCN(c1ccccc1)[C@@H]1COC(C)(C)C[C@H]1O.
What is the InChIKey of (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol?
The InChIKey is BYHZDPLGLHSMCC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(12-8-6-5-7-9-12)13-11-18-15(2,3)10-14(13)17/h5-9,13-14,17H,4,10-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol?
(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol is sourced from PubChem (CID 118038763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).