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

C21H33NO — CID 59231045

IUPAC(2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine
SMILESCC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C21H33NO/c1-16-4-6-19(7-5-16)8-9-20-10-12-21(13-11-20)22-14-17(2)23-18(3)15-22/h10-13,16-19H,4-9,14-15H2,1-3H3/t16?,17-,18+,19?
InChIKeyMNQSAIGPFPFMEL-FXSDRFNOSA-N
MW315.50 g/mol
LogP5.06
Rot. Bonds4

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

(2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine (PubChem CID 59231045) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine
PubChem CID59231045
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine
SMILESCC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1
InChIInChI=1S/C21H33NO/c1-16-4-6-19(7-5-16)8-9-20-10-12-21(13-11-20)22-14-17(2)23-18(3)15-22/h10-13,16-19H,4-9,14-15H2,1-3H3/t16?,17-,18+,19?
InChIKeyMNQSAIGPFPFMEL-FXSDRFNOSA-N
XLogP5.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.06
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,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine (CID 59231045) is (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine is CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine?
The InChIKey is MNQSAIGPFPFMEL-FXSDRFNOSA-N. The full InChI is InChI=1S/C21H33NO/c1-16-4-6-19(7-5-16)8-9-20-10-12-21(13-11-20)22-14-17(2)23-18(3)15-22/h10-13,16-19H,4-9,14-15H2,1-3H3/t16?,17-,18+,19?.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine has a molecular weight of 315.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine is sourced from PubChem (CID 59231045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).