3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol

C15H23NO2 — CID 124739408

IUPAC3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
SMILESCOc1ccc2c(c1)C[C@H](C)N(CCCO)[C@@H]2C
InChIInChI=1S/C15H23NO2/c1-11-9-13-10-14(18-3)5-6-15(13)12(2)16(11)7-4-8-17/h5-6,10-12,17H,4,7-9H2,1-3H3/t11-,12+/m0/s1
InChIKeySQJAXLGOUSMPFL-NWDGAFQWSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds4

About 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol

3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol (PubChem CID 124739408) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
PubChem CID124739408
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
SMILESCOc1ccc2c(c1)C[C@H](C)N(CCCO)[C@@H]2C
InChIInChI=1S/C15H23NO2/c1-11-9-13-10-14(18-3)5-6-15(13)12(2)16(11)7-4-8-17/h5-6,10-12,17H,4,7-9H2,1-3H3/t11-,12+/m0/s1
InChIKeySQJAXLGOUSMPFL-NWDGAFQWSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol with MolForge

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Related Compounds

5-[(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
CID 120905071
3-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-1-ol
CID 116995680
(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol
CID 78011332
(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 96722646
6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687418
N-[3-[(1R,3R)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 97348886
3-(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120552817
3-[1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
CID 123548294
(6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methylpyridazin-4-yl)methanone
CID 136534984
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol?
The IUPAC name of 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol (CID 124739408) is 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol is COc1ccc2c(c1)C[C@H](C)N(CCCO)[C@@H]2C.
What is the InChIKey of 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol?
The InChIKey is SQJAXLGOUSMPFL-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-13-10-14(18-3)5-6-15(13)12(2)16(11)7-4-8-17/h5-6,10-12,17H,4,7-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol?
3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-6-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol is sourced from PubChem (CID 124739408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).