(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine

C11H11FN2O — CID 82396051

IUPAC(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
SMILESCOc1cc2ccnc(CN)c2cc1F
InChIInChI=1S/C11H11FN2O/c1-15-11-4-7-2-3-14-10(6-13)8(7)5-9(11)12/h2-5H,6,13H2,1H3
InChIKeyQNZOUPPYLIHFJY-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.84
Rot. Bonds2

About (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine

(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine (PubChem CID 82396051) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
PubChem CID82396051
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine
SMILESCOc1cc2ccnc(CN)c2cc1F
InChIInChI=1S/C11H11FN2O/c1-15-11-4-7-2-3-14-10(6-13)8(7)5-9(11)12/h2-5H,6,13H2,1H3
InChIKeyQNZOUPPYLIHFJY-UHFFFAOYSA-N
XLogP1.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-6-methoxyisoquinolin-1-amine
CID 82276421
(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
CID 124505252
[4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118814252
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
CID 116995176
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
7-(2-fluoroethoxy)-1-[(2-fluoro-4-methoxyphenyl)methyl]-6-methoxyisoquinoline
CID 54769353
[7-(difluoromethyl)isoquinolin-1-yl]methanamine
CID 125426183
2-(6,7-dimethoxyisoquinolin-1-yl)propan-2-amine
CID 116995177
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
ethane;isoquinolin-1-ylmethanamine
CID 145267324

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine?
The IUPAC name of (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine (CID 82396051) is (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine.
What is the SMILES notation for (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine?
The canonical SMILES for (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine is COc1cc2ccnc(CN)c2cc1F.
What is the InChIKey of (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine?
The InChIKey is QNZOUPPYLIHFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-15-11-4-7-2-3-14-10(6-13)8(7)5-9(11)12/h2-5H,6,13H2,1H3.
What are the key properties of (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine?
(7-fluoro-6-methoxyisoquinolin-1-yl)methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-6-methoxyisoquinolin-1-yl)methanamine is sourced from PubChem (CID 82396051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).