(2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine

C22H35NO — CID 59545731

IUPAC(2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine
SMILESCC1CCC(CCc2ccc(N3CCO[C@H](C(C)C)C3)cc2)CC1
InChIInChI=1S/C22H35NO/c1-17(2)22-16-23(14-15-24-22)21-12-10-20(11-13-21)9-8-19-6-4-18(3)5-7-19/h10-13,17-19,22H,4-9,14-16H2,1-3H3/t18?,19?,22-/m0/s1
InChIKeyJQTVGSLPCGWQQS-AJTFCVKESA-N
MW329.53 g/mol
LogP5.31
Rot. Bonds5

About (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine

(2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine (PubChem CID 59545731) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine
PubChem CID59545731
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name(2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine
SMILESCC1CCC(CCc2ccc(N3CCO[C@H](C(C)C)C3)cc2)CC1
InChIInChI=1S/C22H35NO/c1-17(2)22-16-23(14-15-24-22)21-12-10-20(11-13-21)9-8-19-6-4-18(3)5-7-19/h10-13,17-19,22H,4-9,14-16H2,1-3H3/t18?,19?,22-/m0/s1
InChIKeyJQTVGSLPCGWQQS-AJTFCVKESA-N
XLogP5.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.31
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 (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine?
The IUPAC name of (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine (CID 59545731) is (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine.
What is the SMILES notation for (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine?
The canonical SMILES for (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine is CC1CCC(CCc2ccc(N3CCO[C@H](C(C)C)C3)cc2)CC1.
What is the InChIKey of (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine?
The InChIKey is JQTVGSLPCGWQQS-AJTFCVKESA-N. The full InChI is InChI=1S/C22H35NO/c1-17(2)22-16-23(14-15-24-22)21-12-10-20(11-13-21)9-8-19-6-4-18(3)5-7-19/h10-13,17-19,22H,4-9,14-16H2,1-3H3/t18?,19?,22-/m0/s1.
What are the key properties of (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine?
(2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine has a molecular weight of 329.53 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2-propan-2-ylmorpholine is sourced from PubChem (CID 59545731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).