(2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol

C14H20ClNO2 — CID 46837922

IUPAC(2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol
SMILESCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1
InChIKeyLYDZRRKPDGFEON-JSGCOSHPSA-N
MW269.77 g/mol
LogP2.66
Rot. Bonds2

About (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol

(2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol (PubChem CID 46837922) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol
PubChem CID46837922
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name(2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol
SMILESCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1
InChIKeyLYDZRRKPDGFEON-JSGCOSHPSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol?
The IUPAC name of (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol (CID 46837922) is (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol is CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1.
What is the InChIKey of (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol?
The InChIKey is LYDZRRKPDGFEON-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol?
(2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol has a molecular weight of 269.77 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-chlorophenyl)-3-ethyl-5,5-dimethylmorpholin-2-ol is sourced from PubChem (CID 46837922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).