(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine

C21H27NO — CID 59545831

IUPAC(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
SMILESCc1ccc(CCc2cccc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1
InChIInChI=1S/C21H27NO/c1-16-7-9-19(10-8-16)11-12-20-5-4-6-21(13-20)22-14-17(2)23-18(3)15-22/h4-10,13,17-18H,11-12,14-15H2,1-3H3/t17-,18+
InChIKeyUIQCZVNVUVWTQB-HDICACEKSA-N
MW309.45 g/mol
LogP4.39
Rot. Bonds4

About (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine

(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine (PubChem CID 59545831) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
PubChem CID59545831
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine
SMILESCc1ccc(CCc2cccc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1
InChIInChI=1S/C21H27NO/c1-16-7-9-19(10-8-16)11-12-20-5-4-6-21(13-20)22-14-17(2)23-18(3)15-22/h4-10,13,17-18H,11-12,14-15H2,1-3H3/t17-,18+
InChIKeyUIQCZVNVUVWTQB-HDICACEKSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine (CID 59545831) is (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine is Cc1ccc(CCc2cccc(N3C[C@@H](C)O[C@@H](C)C3)c2)cc1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine?
The InChIKey is UIQCZVNVUVWTQB-HDICACEKSA-N. The full InChI is InChI=1S/C21H27NO/c1-16-7-9-19(10-8-16)11-12-20-5-4-6-21(13-20)22-14-17(2)23-18(3)15-22/h4-10,13,17-18H,11-12,14-15H2,1-3H3/t17-,18+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine has a molecular weight of 309.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[3-[2-(4-methylphenyl)ethyl]phenyl]morpholine is sourced from PubChem (CID 59545831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).