(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline

C17H18FNO — CID 156526165

IUPAC(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOCN1CCc2ccccc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-20-12-19-11-10-13-4-2-3-5-16(13)17(19)14-6-8-15(18)9-7-14/h2-9,17H,10-12H2,1H3/t17-/m0/s1
InChIKeyNWUKGNOFFADKNW-KRWDZBQOSA-N
MW271.34 g/mol
LogP3.38
Rot. Bonds3

About (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline

(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 156526165) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID156526165
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOCN1CCc2ccccc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-20-12-19-11-10-13-4-2-3-5-16(13)17(19)14-6-8-15(18)9-7-14/h2-9,17H,10-12H2,1H3/t17-/m0/s1
InChIKeyNWUKGNOFFADKNW-KRWDZBQOSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 440630
Diphenidine
CID 206666
2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3057770
Mcn 4612
CID 135949
6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 13202963
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
CID 436347
2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 4141883
Isoquinoline, 1,2,3,4-tetrahydro-2,3-dimethyl-8-phenyl-, hydrobromide
CID 3052880
2,7,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 10220615
(1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895872
(6S,10bR)-9-fluoro-6-(4-fluorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrobromide
CID 13903143

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline (CID 156526165) is (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline is COCN1CCc2ccccc2[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is NWUKGNOFFADKNW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-12-19-11-10-13-4-2-3-5-16(13)17(19)14-6-8-15(18)9-7-14/h2-9,17H,10-12H2,1H3/t17-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline?
(1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 271.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-(methoxymethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 156526165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).