2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol

C18H23NO2 — CID 104961914

IUPAC2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol
SMILESCC(c1ccc2ccccc2c1O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H23NO2/c1-12-10-19(11-13(2)21-12)14(3)16-9-8-15-6-4-5-7-17(15)18(16)20/h4-9,12-14,20H,10-11H2,1-3H3/t12-,13+,14?
InChIKeyRSTLRWMNLBBXKX-PBWFPOADSA-N
MW285.39 g/mol
LogP3.72
Rot. Bonds2

About 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol

2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol (PubChem CID 104961914) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol
PubChem CID104961914
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol
SMILESCC(c1ccc2ccccc2c1O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H23NO2/c1-12-10-19(11-13(2)21-12)14(3)16-9-8-15-6-4-5-7-17(15)18(16)20/h4-9,12-14,20H,10-11H2,1-3H3/t12-,13+,14?
InChIKeyRSTLRWMNLBBXKX-PBWFPOADSA-N
XLogP3.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol?
The IUPAC name of 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol (CID 104961914) is 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol.
What is the SMILES notation for 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol?
The canonical SMILES for 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol is CC(c1ccc2ccccc2c1O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol?
The InChIKey is RSTLRWMNLBBXKX-PBWFPOADSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-10-19(11-13(2)21-12)14(3)16-9-8-15-6-4-5-7-17(15)18(16)20/h4-9,12-14,20H,10-11H2,1-3H3/t12-,13+,14?.
What are the key properties of 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol?
2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]naphthalen-1-ol is sourced from PubChem (CID 104961914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).