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

C24H32N2O5 — CID 135200868

IUPAC4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)ccc1Cc1c(OC)cc(N2CCOCC2)cc1OC
InChIInChI=1S/C24H32N2O5/c1-27-22-15-19(25-6-10-30-11-7-25)5-4-18(22)14-21-23(28-2)16-20(17-24(21)29-3)26-8-12-31-13-9-26/h4-5,15-17H,6-14H2,1-3H3
InChIKeyDCPRYDLQZJHIMG-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.98
Rot. Bonds7

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

4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine (PubChem CID 135200868) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
PubChem CID135200868
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
SMILESCOc1cc(N2CCOCC2)ccc1Cc1c(OC)cc(N2CCOCC2)cc1OC
InChIInChI=1S/C24H32N2O5/c1-27-22-15-19(25-6-10-30-11-7-25)5-4-18(22)14-21-23(28-2)16-20(17-24(21)29-3)26-8-12-31-13-9-26/h4-5,15-17H,6-14H2,1-3H3
InChIKeyDCPRYDLQZJHIMG-UHFFFAOYSA-N
XLogP2.98
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200886
4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
N-(2,2-dimethylpropyl)-2-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-8-amine
CID 146864840
N-[(2,4-dimethoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 6492077
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
CID 117417021
bis((2-methoxy-4-morpholin-4-ylphenyl)diazene);chloride
CID 123629300
2-amino-1-(2-methoxy-5-morpholin-4-ylphenyl)ethanol
CID 117384184
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxylate
CID 71657184
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
1-(2-methoxy-5-morpholin-4-ylphenyl)cyclohexan-1-amine
CID 117469481

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
The IUPAC name of 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine (CID 135200868) is 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine.
What is the SMILES notation for 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
The canonical SMILES for 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine is COc1cc(N2CCOCC2)ccc1Cc1c(OC)cc(N2CCOCC2)cc1OC.
What is the InChIKey of 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
The InChIKey is DCPRYDLQZJHIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-27-22-15-19(25-6-10-30-11-7-25)5-4-18(22)14-21-23(28-2)16-20(17-24(21)29-3)26-8-12-31-13-9-26/h4-5,15-17H,6-14H2,1-3H3.
What are the key properties of 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine?
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine has a molecular weight of 428.53 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine is sourced from PubChem (CID 135200868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).