4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine

C16H22N2O2 — CID 141381503

IUPAC4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine
SMILESC1=N[C@H](COCCN2CCOCC2)Cc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-2-4-15-12-17-16(11-14(15)3-1)13-20-10-7-18-5-8-19-9-6-18/h1-4,12,16H,5-11,13H2/t16-/m0/s1
InChIKeyMNOWTMHJSMBSFM-INIZCTEOSA-N
MW274.36 g/mol
LogP1.38
Rot. Bonds5

About 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine

4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine (PubChem CID 141381503) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine
PubChem CID141381503
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine
SMILESC1=N[C@H](COCCN2CCOCC2)Cc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-2-4-15-12-17-16(11-14(15)3-1)13-20-10-7-18-5-8-19-9-6-18/h1-4,12,16H,5-11,13H2/t16-/m0/s1
InChIKeyMNOWTMHJSMBSFM-INIZCTEOSA-N
XLogP1.38
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,2,3,4-tetrahydroquinolin-3-yloxy)ethyl]morpholine
CID 107387425
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
4,10-bis[2-(3,4-diphenylcyclopentyl)oxyethyl]-1,7-dioxa-4,10-diazacyclododecane
CID 72568901
4-[2-(1,4-dihydronaphthalen-1-yloxy)ethyl]morpholine
CID 173045505
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
CID 110457303
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
4-[2-(quinolin-3-ylmethoxy)ethyl]morpholine
CID 59259721
sodium;bromomethylbenzene;hydride;2-morpholin-4-ylethanol;4-(2-phenylmethoxyethyl)morpholine
CID 163933477
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine (CID 141381503) is 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine is C1=N[C@H](COCCN2CCOCC2)Cc2ccccc21.
What is the InChIKey of 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine?
The InChIKey is MNOWTMHJSMBSFM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-4-15-12-17-16(11-14(15)3-1)13-20-10-7-18-5-8-19-9-6-18/h1-4,12,16H,5-11,13H2/t16-/m0/s1.
What are the key properties of 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine?
4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine has a molecular weight of 274.36 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3S)-3,4-dihydroisoquinolin-3-yl]methoxy]ethyl]morpholine is sourced from PubChem (CID 141381503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).