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

C15H21NO2 — CID 107137752

IUPAC7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(C1CCCOC1)NCC2
InChIInChI=1S/C15H21NO2/c1-17-13-5-4-11-6-7-16-15(14(11)9-13)12-3-2-8-18-10-12/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3
InChIKeyVDYKLTNURWWFEZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.31
Rot. Bonds2

About 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 107137752) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID107137752
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(C1CCCOC1)NCC2
InChIInChI=1S/C15H21NO2/c1-17-13-5-4-11-6-7-16-15(14(11)9-13)12-3-2-8-18-10-12/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3
InChIKeyVDYKLTNURWWFEZ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(oxan-3-yl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 107137740
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852
1-(2-ethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779224
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
4-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 131539104
1-cyclopropyl-8-methoxy-4-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 64688198
6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 71422083
(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948605
6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 67537734

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 107137752) is 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C(C1CCCOC1)NCC2.
What is the InChIKey of 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VDYKLTNURWWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-17-13-5-4-11-6-7-16-15(14(11)9-13)12-3-2-8-18-10-12/h4-5,9,12,15-16H,2-3,6-8,10H2,1H3.
What are the key properties of 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(oxan-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 107137752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).