1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline

C18H20FNO2 — CID 174478810

IUPAC1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline
SMILESCON1CC=C2C=CCC=C2C1(Cc1ccc(F)cc1)OC
InChIInChI=1S/C18H20FNO2/c1-21-18(13-14-7-9-16(19)10-8-14)17-6-4-3-5-15(17)11-12-20(18)22-2/h3,5-11H,4,12-13H2,1-2H3
InChIKeyDVKOVJNBPQTGBN-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.40
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline

1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline (PubChem CID 174478810) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline
PubChem CID174478810
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline
SMILESCON1CC=C2C=CCC=C2C1(Cc1ccc(F)cc1)OC
InChIInChI=1S/C18H20FNO2/c1-21-18(13-14-7-9-16(19)10-8-14)17-6-4-3-5-15(17)11-12-20(18)22-2/h3,5-11H,4,12-13H2,1-2H3
InChIKeyDVKOVJNBPQTGBN-UHFFFAOYSA-N
XLogP3.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethoxy-ethyl-amphetamin
CID 129649903
8-Fluoro-7-methoxy-2-phenylmethoxy-1,7-dihydrobenzo[de]isoquinoline
CID 88279102
1-(4-Fluorophenyl)-2-[methoxy(methyl)amino]but-3-en-2-ol
CID 89097997
N-(2-fluoroethyl)-N,2-dimethoxy-1-phenylpropan-2-amine
CID 90237229
3-[4-[(1S,2S)-3-fluoro-1-methoxy-2-methylpropyl]phenyl]-1-hydroxy-6-methyl-2H-pyridine
CID 143418429
Methyldimethoxy-ethylamphetamine
CID 129703244
1-[(4-Fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline
CID 141074895
1,2-Dimethoxy-1-phenyl-3,7-dihydroisoquinoline
CID 89392486
1-[(4-Fluorophenyl)methyl]-1,2-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 141074894
1-benzyl-1-methoxy-3,4,5,6,7,8-hexahydro-2H-isoquinoline
CID 158242596
N,2-dimethoxy-1-phenyl-N-propylpropan-2-amine
CID 172797388
1,2-Dimethoxy-2-phenylpiperidine
CID 174462108

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline (CID 174478810) is 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline is CON1CC=C2C=CCC=C2C1(Cc1ccc(F)cc1)OC.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline?
The InChIKey is DVKOVJNBPQTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-21-18(13-14-7-9-16(19)10-8-14)17-6-4-3-5-15(17)11-12-20(18)22-2/h3,5-11H,4,12-13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline?
1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline has a molecular weight of 301.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-1,2-dimethoxy-3,7-dihydroisoquinoline is sourced from PubChem (CID 174478810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).