(2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol

C13H18ClNO2 — CID 67470964

IUPAC(2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol
SMILESCN1CCO[C@@](O)(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C13H18ClNO2/c1-12(2)13(16,17-8-7-15(12)3)10-5-4-6-11(14)9-10/h4-6,9,16H,7-8H2,1-3H3/t13-/m0/s1
InChIKeyPMRHGTJVVOGPAO-ZDUSSCGKSA-N
MW255.75 g/mol
LogP2.23
Rot. Bonds1

About (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol

(2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol (PubChem CID 67470964) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol
PubChem CID67470964
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol
SMILESCN1CCO[C@@](O)(c2cccc(Cl)c2)C1(C)C
InChIInChI=1S/C13H18ClNO2/c1-12(2)13(16,17-8-7-15(12)3)10-5-4-6-11(14)9-10/h4-6,9,16H,7-8H2,1-3H3/t13-/m0/s1
InChIKeyPMRHGTJVVOGPAO-ZDUSSCGKSA-N
XLogP2.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol?
The IUPAC name of (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol (CID 67470964) is (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol.
What is the SMILES notation for (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol?
The canonical SMILES for (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol is CN1CCO[C@@](O)(c2cccc(Cl)c2)C1(C)C.
What is the InChIKey of (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol?
The InChIKey is PMRHGTJVVOGPAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-12(2)13(16,17-8-7-15(12)3)10-5-4-6-11(14)9-10/h4-6,9,16H,7-8H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol?
(2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol has a molecular weight of 255.75 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenyl)-3,3,4-trimethylmorpholin-2-ol is sourced from PubChem (CID 67470964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).