7-[(2-fluorophenyl)methoxymethyl]isoquinoline

C17H14FNO — CID 67075433

IUPAC7-[(2-fluorophenyl)methoxymethyl]isoquinoline
SMILESFc1ccccc1COCc1ccc2ccncc2c1
InChIInChI=1S/C17H14FNO/c18-17-4-2-1-3-15(17)12-20-11-13-5-6-14-7-8-19-10-16(14)9-13/h1-10H,11-12H2
InChIKeyJSJIEDAJUGBWEW-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.09
Rot. Bonds4

About 7-[(2-fluorophenyl)methoxymethyl]isoquinoline

7-[(2-fluorophenyl)methoxymethyl]isoquinoline (PubChem CID 67075433) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methoxymethyl]isoquinoline.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methoxymethyl]isoquinoline
PubChem CID67075433
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name7-[(2-fluorophenyl)methoxymethyl]isoquinoline
SMILESFc1ccccc1COCc1ccc2ccncc2c1
InChIInChI=1S/C17H14FNO/c18-17-4-2-1-3-15(17)12-20-11-13-5-6-14-7-8-19-10-16(14)9-13/h1-10H,11-12H2
InChIKeyJSJIEDAJUGBWEW-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
7-benzylisoquinoline
CID 21192449
isoquinolin-7-ylmethyl formate
CID 175541749
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
3-(chloromethyl)-4-[(2-fluorophenyl)methoxy]pyridine
CID 81235169
3-isoquinolin-7-ylpropan-1-amine
CID 82576497
2-[4-[(2-fluorophenyl)methoxymethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 82249692
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
2-benzyl-4-[(3-benzyl-4-fluorophenyl)methoxymethyl]-1-fluorobenzene
CID 57234743
3-[3-[(2-fluorophenyl)methoxymethyl]phenyl]prop-2-yn-1-amine
CID 63934930
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methoxymethyl]isoquinoline?
The IUPAC name of 7-[(2-fluorophenyl)methoxymethyl]isoquinoline (CID 67075433) is 7-[(2-fluorophenyl)methoxymethyl]isoquinoline.
What is the SMILES notation for 7-[(2-fluorophenyl)methoxymethyl]isoquinoline?
The canonical SMILES for 7-[(2-fluorophenyl)methoxymethyl]isoquinoline is Fc1ccccc1COCc1ccc2ccncc2c1.
What is the InChIKey of 7-[(2-fluorophenyl)methoxymethyl]isoquinoline?
The InChIKey is JSJIEDAJUGBWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-17-4-2-1-3-15(17)12-20-11-13-5-6-14-7-8-19-10-16(14)9-13/h1-10H,11-12H2.
What are the key properties of 7-[(2-fluorophenyl)methoxymethyl]isoquinoline?
7-[(2-fluorophenyl)methoxymethyl]isoquinoline has a molecular weight of 267.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methoxymethyl]isoquinoline is sourced from PubChem (CID 67075433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).