4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine

C24H32N2O3 — CID 58696203

IUPAC4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine
SMILESCCN1CCOC(COc2ccc3c(c2)CN(C)CC3c2ccc(OC)cc2)C1
InChIInChI=1S/C24H32N2O3/c1-4-26-11-12-28-22(15-26)17-29-21-9-10-23-19(13-21)14-25(2)16-24(23)18-5-7-20(27-3)8-6-18/h5-10,13,22,24H,4,11-12,14-17H2,1-3H3
InChIKeyXBCYMSJLPIHDBI-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.37
Rot. Bonds6

About 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine

4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine (PubChem CID 58696203) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine
PubChem CID58696203
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine
SMILESCCN1CCOC(COc2ccc3c(c2)CN(C)CC3c2ccc(OC)cc2)C1
InChIInChI=1S/C24H32N2O3/c1-4-26-11-12-28-22(15-26)17-29-21-9-10-23-19(13-21)14-25(2)16-24(23)18-5-7-20(27-3)8-6-18/h5-10,13,22,24H,4,11-12,14-17H2,1-3H3
InChIKeyXBCYMSJLPIHDBI-UHFFFAOYSA-N
XLogP3.37
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine?
The IUPAC name of 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine (CID 58696203) is 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine.
What is the SMILES notation for 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine?
The canonical SMILES for 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine is CCN1CCOC(COc2ccc3c(c2)CN(C)CC3c2ccc(OC)cc2)C1.
What is the InChIKey of 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine?
The InChIKey is XBCYMSJLPIHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-26-11-12-28-22(15-26)17-29-21-9-10-23-19(13-21)14-25(2)16-24(23)18-5-7-20(27-3)8-6-18/h5-10,13,22,24H,4,11-12,14-17H2,1-3H3.
What are the key properties of 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine?
4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine has a molecular weight of 396.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]morpholine is sourced from PubChem (CID 58696203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).