4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine

C24H32N2O2 — CID 135200886

IUPAC4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
SMILESCc1cc(N2CCOCC2)ccc1Cc1c(C)cc(N2CCOCC2)cc1C
InChIInChI=1S/C24H32N2O2/c1-18-14-22(25-6-10-27-11-7-25)5-4-21(18)17-24-19(2)15-23(16-20(24)3)26-8-12-28-13-9-26/h4-5,14-16H,6-13,17H2,1-3H3
InChIKeyGHMQPALYITUVNN-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.88
Rot. Bonds4

About 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine

4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine (PubChem CID 135200886) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
PubChem CID135200886
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
SMILESCc1cc(N2CCOCC2)ccc1Cc1c(C)cc(N2CCOCC2)cc1C
InChIInChI=1S/C24H32N2O2/c1-18-14-22(25-6-10-27-11-7-25)5-4-21(18)17-24-19(2)15-23(16-20(24)3)26-8-12-28-13-9-26/h4-5,14-16H,6-13,17H2,1-3H3
InChIKeyGHMQPALYITUVNN-UHFFFAOYSA-N
XLogP3.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
4-[3-bromo-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 163692702
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
1-[2-methyl-4-(1,4-oxazepan-4-yl)phenyl]propan-2-amine
CID 55236036
4-(4-ethynyl-3-methylphenyl)morpholine
CID 169489219
2-ethyl-6-methyl-4-morpholin-4-ylaniline
CID 83707293
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
N-(2-ethyl-5-morpholin-4-ylphenyl)hydroxylamine
CID 163917311
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
methyl 2-amino-3-(2,6-dimethyl-4-morpholin-4-ylphenyl)propanoate
CID 170884277

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
The IUPAC name of 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine (CID 135200886) is 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
The canonical SMILES for 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine is Cc1cc(N2CCOCC2)ccc1Cc1c(C)cc(N2CCOCC2)cc1C.
What is the InChIKey of 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
The InChIKey is GHMQPALYITUVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-14-22(25-6-10-27-11-7-25)5-4-21(18)17-24-19(2)15-23(16-20(24)3)26-8-12-28-13-9-26/h4-5,14-16H,6-13,17H2,1-3H3.
What are the key properties of 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine has a molecular weight of 380.53 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine is sourced from PubChem (CID 135200886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).