(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine

C14H20ClNO — CID 51349597

IUPAC(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
SMILESC[C@H]1[C@H](c2cccc(Cl)c2)OCC(C)(C)N1C
InChIInChI=1S/C14H20ClNO/c1-10-13(11-6-5-7-12(15)8-11)17-9-14(2,3)16(10)4/h5-8,10,13H,9H2,1-4H3/t10-,13+/m0/s1
InChIKeyVBTHYXSQNMPYRT-GXFFZTMASA-N
MW253.77 g/mol
LogP3.51
Rot. Bonds1

About (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine

(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine (PubChem CID 51349597) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine.

Molecular Properties

Compound Name(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
PubChem CID51349597
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine
SMILESC[C@H]1[C@H](c2cccc(Cl)c2)OCC(C)(C)N1C
InChIInChI=1S/C14H20ClNO/c1-10-13(11-6-5-7-12(15)8-11)17-9-14(2,3)16(10)4/h5-8,10,13H,9H2,1-4H3/t10-,13+/m0/s1
InChIKeyVBTHYXSQNMPYRT-GXFFZTMASA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
CID 43366940
2-(3-chloro-2-tritiophenyl)-3,4,4-trimethyl-1,3-oxazolidine
CID 88724978
2-[2-(3-chlorophenyl)-3-methylmorpholin-4-yl]ethanol
CID 141129247
3-(3-chlorophenyl)-2,9-dimethyl-4-oxa-1-azaspiro[5.5]undecane
CID 62527338
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
9-(3-chlorophenyl)-10-methyl-8-oxa-11-azaspiro[5.6]dodecane
CID 103968911
(2S)-2-(3-chlorophenyl)-4,4-dimethyl-1,3-oxazolidin-3-ium
CID 6948958
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
2-(3-chlorophenyl)-N-cyclopropyl-5,5-dimethylmorpholine-4-carboxamide
CID 110356676
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(furan-2-yl)methanone
CID 110358376
(2R,3R,5S)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-5-prop-2-enyloxane
CID 141326895
2-(3-chlorophenyl)-4-methyl-6-oxabicyclo[3.1.0]hexane
CID 90346557

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine?
The IUPAC name of (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine (CID 51349597) is (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine.
What is the SMILES notation for (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine?
The canonical SMILES for (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine is C[C@H]1[C@H](c2cccc(Cl)c2)OCC(C)(C)N1C.
What is the InChIKey of (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine?
The InChIKey is VBTHYXSQNMPYRT-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20ClNO/c1-10-13(11-6-5-7-12(15)8-11)17-9-14(2,3)16(10)4/h5-8,10,13H,9H2,1-4H3/t10-,13+/m0/s1.
What are the key properties of (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine?
(2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine has a molecular weight of 253.77 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(3-chlorophenyl)-3,4,5,5-tetramethylmorpholine is sourced from PubChem (CID 51349597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).