(2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol

C15H22ClNO2 — CID 54583277

IUPAC(2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol
SMILESCCN1[C@@H](C)[C@](O)(c2cccc(Cl)c2)OCC1(C)C
InChIInChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1
InChIKeyVNRFZHXTMQEXQW-XHDPSFHLSA-N
MW283.80 g/mol
LogP3.00
Rot. Bonds2

About (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol

(2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol (PubChem CID 54583277) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol
PubChem CID54583277
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol
SMILESCCN1[C@@H](C)[C@](O)(c2cccc(Cl)c2)OCC1(C)C
InChIInChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1
InChIKeyVNRFZHXTMQEXQW-XHDPSFHLSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol?
The IUPAC name of (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol (CID 54583277) is (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol is CCN1[C@@H](C)[C@](O)(c2cccc(Cl)c2)OCC1(C)C.
What is the InChIKey of (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol?
The InChIKey is VNRFZHXTMQEXQW-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-5-17-11(2)15(18,19-10-14(17,3)4)12-7-6-8-13(16)9-12/h6-9,11,18H,5,10H2,1-4H3/t11-,15+/m0/s1.
What are the key properties of (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol?
(2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol has a molecular weight of 283.80 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-chlorophenyl)-4-ethyl-3,5,5-trimethylmorpholin-2-ol is sourced from PubChem (CID 54583277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).