(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine

C18H21NO — CID 10539775

IUPAC(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
SMILESCC1(C)CO[C@@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C18H21NO/c1-18(2)13-20-17(15-11-7-4-8-12-15)16(19-18)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1
InChIKeyZHKKIXILAABIPQ-IRXDYDNUSA-N
MW267.37 g/mol
LogP3.87
Rot. Bonds2

About (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine

(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine (PubChem CID 10539775) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine.

Molecular Properties

Compound Name(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
PubChem CID10539775
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine
SMILESCC1(C)CO[C@@H](c2ccccc2)[C@H](c2ccccc2)N1
InChIInChI=1S/C18H21NO/c1-18(2)13-20-17(15-11-7-4-8-12-15)16(19-18)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1
InChIKeyZHKKIXILAABIPQ-IRXDYDNUSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine?
The IUPAC name of (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine (CID 10539775) is (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine.
What is the SMILES notation for (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine?
The canonical SMILES for (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine is CC1(C)CO[C@@H](c2ccccc2)[C@H](c2ccccc2)N1.
What is the InChIKey of (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine?
The InChIKey is ZHKKIXILAABIPQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)13-20-17(15-11-7-4-8-12-15)16(19-18)14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine?
(2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine has a molecular weight of 267.37 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5,5-dimethyl-2,3-diphenylmorpholine is sourced from PubChem (CID 10539775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).