(2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine

C13H18ClNO — CID 59613180

IUPAC(2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine
SMILESCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-4-5-13(12(14)6-9)15-7-10(2)16-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyWKZJESWCDQUIHL-PHIMTYICSA-N
MW239.75 g/mol
LogP3.26
Rot. Bonds1

About (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine

(2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine (PubChem CID 59613180) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine
PubChem CID59613180
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine
SMILESCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-9-4-5-13(12(14)6-9)15-7-10(2)16-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyWKZJESWCDQUIHL-PHIMTYICSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine (CID 59613180) is (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine is Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine?
The InChIKey is WKZJESWCDQUIHL-PHIMTYICSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-4-5-13(12(14)6-9)15-7-10(2)16-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3/t10-,11+.
What are the key properties of (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine?
(2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine has a molecular weight of 239.75 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-(2-chloro-4-methylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 59613180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).