(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine

C13H19NO — CID 166696094

IUPAC(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CC(C)O[C@@H](C)C2)cc1
InChIInChI=1S/C13H19NO/c1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3/t11-,12?/m0/s1
InChIKeyFJGGJGIGJKWDCH-PXYINDEMSA-N
MW205.30 g/mol
LogP2.61
Rot. Bonds1

About (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine

(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine (PubChem CID 166696094) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine.

Molecular Properties

Compound Name(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
PubChem CID166696094
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
SMILESCc1ccc(N2CC(C)O[C@@H](C)C2)cc1
InChIInChI=1S/C13H19NO/c1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3/t11-,12?/m0/s1
InChIKeyFJGGJGIGJKWDCH-PXYINDEMSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine?
The IUPAC name of (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine (CID 166696094) is (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine.
What is the SMILES notation for (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine?
The canonical SMILES for (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine is Cc1ccc(N2CC(C)O[C@@H](C)C2)cc1.
What is the InChIKey of (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine?
The InChIKey is FJGGJGIGJKWDCH-PXYINDEMSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-6-13(7-5-10)14-8-11(2)15-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine?
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine has a molecular weight of 205.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine is sourced from PubChem (CID 166696094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).