[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol

C13H19NO2 — CID 93023320

IUPAC[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
SMILESC[C@@H]1CN(c2ccc(CO)cc2)C[C@H](C)O1
InChIInChI=1S/C13H19NO2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11+
InChIKeyODIZQGWUIIOTBM-PHIMTYICSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds2

About [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol

[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol (PubChem CID 93023320) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
PubChem CID93023320
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol
SMILESC[C@@H]1CN(c2ccc(CO)cc2)C[C@H](C)O1
InChIInChI=1S/C13H19NO2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11+
InChIKeyODIZQGWUIIOTBM-PHIMTYICSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)phenyl]methanol
CID 43121035
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]ethanol
CID 43505904
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylmethyl]phenyl]methanol
CID 104961468
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]benzaldehyde
CID 28603596
4-(4-ethynylphenyl)-2,6-dimethylmorpholine
CID 22494643
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-phenylethanamine
CID 110823414
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166

Frequently Asked Questions

What is the IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol?
The IUPAC name of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol (CID 93023320) is [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol?
The canonical SMILES for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol is C[C@@H]1CN(c2ccc(CO)cc2)C[C@H](C)O1.
What is the InChIKey of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol?
The InChIKey is ODIZQGWUIIOTBM-PHIMTYICSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-7-14(8-11(2)16-10)13-5-3-12(9-15)4-6-13/h3-6,10-11,15H,7-9H2,1-2H3/t10-,11+.
What are the key properties of [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol?
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methanol is sourced from PubChem (CID 93023320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).