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

C16H24N2O2 — CID 110456823

IUPAC4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
SMILESCOc1ccc2c(c1)CN(CCN1CCOCC1)CC2
InChIInChI=1S/C16H24N2O2/c1-19-16-3-2-14-4-5-18(13-15(14)12-16)7-6-17-8-10-20-11-9-17/h2-3,12H,4-11,13H2,1H3
InChIKeyHJNKIBBIRSXBSZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.39
Rot. Bonds4

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

4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine (PubChem CID 110456823) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
PubChem CID110456823
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
SMILESCOc1ccc2c(c1)CN(CCN1CCOCC1)CC2
InChIInChI=1S/C16H24N2O2/c1-19-16-3-2-14-4-5-18(13-15(14)12-16)7-6-17-8-10-20-11-9-17/h2-3,12H,4-11,13H2,1H3
InChIKeyHJNKIBBIRSXBSZ-UHFFFAOYSA-N
XLogP1.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 59017452
3-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1-thiol
CID 89053369
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
2-(3-chloropropyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 18176535
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylacetamide
CID 99782007
4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 77091734
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357

Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine (CID 110456823) is 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine is COc1ccc2c(c1)CN(CCN1CCOCC1)CC2.
What is the InChIKey of 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The InChIKey is HJNKIBBIRSXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-19-16-3-2-14-4-5-18(13-15(14)12-16)7-6-17-8-10-20-11-9-17/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine has a molecular weight of 276.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine is sourced from PubChem (CID 110456823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).