(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline

C15H21NO2 — CID 92598631

IUPAC(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C[C@H](C1CCOCC1)NC2
InChIInChI=1S/C15H21NO2/c1-17-14-3-2-12-10-16-15(9-13(12)8-14)11-4-6-18-7-5-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3/t15-/m1/s1
InChIKeyUAALEBLRNCVMDA-OAHLLOKOSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds2

About (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline

(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 92598631) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID92598631
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C[C@H](C1CCOCC1)NC2
InChIInChI=1S/C15H21NO2/c1-17-14-3-2-12-10-16-15(9-13(12)8-14)11-4-6-18-7-5-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3/t15-/m1/s1
InChIKeyUAALEBLRNCVMDA-OAHLLOKOSA-N
XLogP2.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443
(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
CID 155392745
(3S)-6-methoxy-2-(4-methoxyphenyl)sulfonyl-3-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline
CID 92596462
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
3-cyclohexyl-6,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 177376067
7-methoxy-3-(methylsulfanylmethyl)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline
CID 57010390
5-methoxy-11-azatricyclo[8.2.2.03,8]tetradeca-3(8),4,6-triene
CID 20537552
6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 79369074
7-methoxy-2-(oxan-4-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511003
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
1-(7-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)-N,N-dimethylmethanamine
CID 105476247
(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 58294510

Frequently Asked Questions

What is the IUPAC name of (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline (CID 92598631) is (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C[C@H](C1CCOCC1)NC2.
What is the InChIKey of (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UAALEBLRNCVMDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-14-3-2-12-10-16-15(9-13(12)8-14)11-4-6-18-7-5-11/h2-3,8,11,15-16H,4-7,9-10H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline?
(3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methoxy-3-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 92598631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).