[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine

C16H13FN2O — CID 62298170

IUPAC[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2c(Oc2ccccc2F)n1
InChIInChI=1S/C16H13FN2O/c17-14-7-3-4-8-15(14)20-16-13-6-2-1-5-11(13)9-12(10-18)19-16/h1-9H,10,18H2
InChIKeyRLOHBEAJRUCMCO-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.62
Rot. Bonds3

About [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine

[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine (PubChem CID 62298170) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
PubChem CID62298170
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine
SMILESNCc1cc2ccccc2c(Oc2ccccc2F)n1
InChIInChI=1S/C16H13FN2O/c17-14-7-3-4-8-15(14)20-16-13-6-2-1-5-11(13)9-12(10-18)19-16/h1-9H,10,18H2
InChIKeyRLOHBEAJRUCMCO-UHFFFAOYSA-N
XLogP3.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-bromophenoxy)isoquinolin-3-yl]methanamine
CID 62298264
[1-(4-bromo-3-fluorophenoxy)isoquinolin-3-yl]methanamine
CID 65201053
(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
[1-(2-chloro-5-methylphenoxy)isoquinolin-3-yl]methanamine
CID 62322930
4-(2-fluorophenoxy)quinazolin-2-amine
CID 80864583
(1-cyclobutyloxyisoquinolin-3-yl)methanamine
CID 62286989
[1-[(4-chlorophenyl)methoxy]isoquinolin-3-yl]methanamine
CID 65125880
[1-[2-(2-methoxyethoxy)ethoxy]isoquinolin-3-yl]methanamine
CID 104566277
(1-methylsulfanylisoquinolin-3-yl)methanamine
CID 82506789
[1-(3-fluoro-4-methylphenoxy)isoquinolin-3-yl]methanol
CID 107170110
[3-(2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672553
1-[1-(2-bromophenoxy)isoquinolin-3-yl]-N-methylmethanamine
CID 62297220

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine?
The IUPAC name of [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine (CID 62298170) is [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine.
What is the SMILES notation for [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine?
The canonical SMILES for [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine is NCc1cc2ccccc2c(Oc2ccccc2F)n1.
What is the InChIKey of [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine?
The InChIKey is RLOHBEAJRUCMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-7-3-4-8-15(14)20-16-13-6-2-1-5-11(13)9-12(10-18)19-16/h1-9H,10,18H2.
What are the key properties of [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine?
[1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine has a molecular weight of 268.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenoxy)isoquinolin-3-yl]methanamine is sourced from PubChem (CID 62298170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).