(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol

C14H20FNO2 — CID 99104966

IUPAC(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1CCc2cc(F)ccc2[C@@H]1C
InChIInChI=1S/C14H20FNO2/c1-10-14-4-3-12(15)7-11(14)5-6-16(10)8-13(17)9-18-2/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyITYQGQXFTMSJIG-GXFFZTMASA-N
MW253.32 g/mol
LogP1.75
Rot. Bonds4

About (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol

(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol (PubChem CID 99104966) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
PubChem CID99104966
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
SMILESCOC[C@H](O)CN1CCc2cc(F)ccc2[C@@H]1C
InChIInChI=1S/C14H20FNO2/c1-10-14-4-3-12(15)7-11(14)5-6-16(10)8-13(17)9-18-2/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyITYQGQXFTMSJIG-GXFFZTMASA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol with MolForge

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Related Compounds

7-fluoro-1-methyl-2-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 86959190
(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 95627839
1-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenoxy)propan-2-ol
CID 167550979
6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 174915257
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-methoxypropan-2-ol
CID 58891222
1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 83956705
(1R)-6-fluoro-1-methyl-2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 97045264
N-(5-amino-2-fluorophenyl)-3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 71923341
2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 86959151
(2R)-1-[(2S,4R)-2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 129381032
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 69179698

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
The IUPAC name of (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol (CID 99104966) is (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
The canonical SMILES for (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol is COC[C@H](O)CN1CCc2cc(F)ccc2[C@@H]1C.
What is the InChIKey of (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
The InChIKey is ITYQGQXFTMSJIG-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10-14-4-3-12(15)7-11(14)5-6-16(10)8-13(17)9-18-2/h3-4,7,10,13,17H,5-6,8-9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol?
(2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S)-6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol is sourced from PubChem (CID 99104966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).