(2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol

C14H21NO2 — CID 46837650

IUPAC(2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol
SMILESCc1cccc([C@]2(O)OCC(C)(C)N[C@H]2C)c1
InChIInChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
InChIKeyRLZACOPBIXSOEX-SMDDNHRTSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds1

About (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol

(2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol (PubChem CID 46837650) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol
PubChem CID46837650
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol
SMILESCc1cccc([C@]2(O)OCC(C)(C)N[C@H]2C)c1
InChIInChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
InChIKeyRLZACOPBIXSOEX-SMDDNHRTSA-N
XLogP1.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol?
The IUPAC name of (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol (CID 46837650) is (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol.
What is the SMILES notation for (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol?
The canonical SMILES for (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol is Cc1cccc([C@]2(O)OCC(C)(C)N[C@H]2C)c1.
What is the InChIKey of (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol?
The InChIKey is RLZACOPBIXSOEX-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1.
What are the key properties of (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol?
(2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3,5,5-trimethyl-2-(3-methylphenyl)morpholin-2-ol is sourced from PubChem (CID 46837650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).