4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine

C15H22N2O3 — CID 9169870

IUPAC4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
SMILESCOc1ccc(OC)c2c1CNC[C@H]2N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-18-13-3-4-14(19-2)15-11(13)9-16-10-12(15)17-5-7-20-8-6-17/h3-4,12,16H,5-10H2,1-2H3/t12-/m1/s1
InChIKeyPSJDETRHQGNGPY-GFCCVEGCSA-N
MW278.35 g/mol
LogP1.18
Rot. Bonds3

About 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine

4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (PubChem CID 9169870) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
PubChem CID9169870
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
SMILESCOc1ccc(OC)c2c1CNC[C@H]2N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-18-13-3-4-14(19-2)15-11(13)9-16-10-12(15)17-5-7-20-8-6-17/h3-4,12,16H,5-10H2,1-2H3/t12-/m1/s1
InChIKeyPSJDETRHQGNGPY-GFCCVEGCSA-N
XLogP1.18
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine with MolForge

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Related Compounds

4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170039
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169849
5-methoxy-8-methyl-4-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 82127529
4-[(4S)-7-fluoro-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169018
(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9170028
1-(8-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine;hydrochloride
CID 3048231
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
CID 124962591
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
2-(2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperazine
CID 120753297

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The IUPAC name of 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine (CID 9169870) is 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine.
What is the SMILES notation for 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The canonical SMILES for 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine is COc1ccc(OC)c2c1CNC[C@H]2N1CCOCC1.
What is the InChIKey of 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
The InChIKey is PSJDETRHQGNGPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-13-3-4-14(19-2)15-11(13)9-16-10-12(15)17-5-7-20-8-6-17/h3-4,12,16H,5-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine?
4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine has a molecular weight of 278.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine is sourced from PubChem (CID 9169870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).