(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol

C14H20ClNO2 — CID 94083766

IUPAC(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol
SMILESC[C@@H]1CN(C[C@H](O)c2ccccc2Cl)[C@H](C)CO1
InChIInChI=1S/C14H20ClNO2/c1-10-9-18-11(2)7-16(10)8-14(17)12-5-3-4-6-13(12)15/h3-6,10-11,14,17H,7-9H2,1-2H3/t10-,11-,14+/m1/s1
InChIKeyKJHOSDWAUYACGZ-GYSYKLTISA-N
MW269.77 g/mol
LogP2.48
Rot. Bonds3

About (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol

(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol (PubChem CID 94083766) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol
PubChem CID94083766
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol
SMILESC[C@@H]1CN(C[C@H](O)c2ccccc2Cl)[C@H](C)CO1
InChIInChI=1S/C14H20ClNO2/c1-10-9-18-11(2)7-16(10)8-14(17)12-5-3-4-6-13(12)15/h3-6,10-11,14,17H,7-9H2,1-2H3/t10-,11-,14+/m1/s1
InChIKeyKJHOSDWAUYACGZ-GYSYKLTISA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol (CID 94083766) is (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol is C[C@@H]1CN(C[C@H](O)c2ccccc2Cl)[C@H](C)CO1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol?
The InChIKey is KJHOSDWAUYACGZ-GYSYKLTISA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-9-18-11(2)7-16(10)8-14(17)12-5-3-4-6-13(12)15/h3-6,10-11,14,17H,7-9H2,1-2H3/t10-,11-,14+/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol?
(1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol has a molecular weight of 269.77 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-[(2R,5R)-2,5-dimethylmorpholin-4-yl]ethanol is sourced from PubChem (CID 94083766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).