(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine

C17H15FN2 — CID 62813992

IUPAC(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3cnccc23)cc1F
InChIInChI=1S/C17H15FN2/c1-11-5-6-12(9-16(11)18)17(19)15-4-2-3-13-10-20-8-7-14(13)15/h2-10,17H,19H2,1H3
InChIKeyHQYQRJASNULBHQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.73
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine

(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine (PubChem CID 62813992) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
PubChem CID62813992
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
SMILESCc1ccc(C(N)c2cccc3cnccc23)cc1F
InChIInChI=1S/C17H15FN2/c1-11-5-6-12(9-16(11)18)17(19)15-4-2-3-13-10-20-8-7-14(13)15/h2-10,17H,19H2,1H3
InChIKeyHQYQRJASNULBHQ-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
[(4-fluoro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105204150
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
CID 115853191
[(3,4-dimethylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303015
(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
CID 81298869
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine (CID 62813992) is (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine is Cc1ccc(C(N)c2cccc3cnccc23)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine?
The InChIKey is HQYQRJASNULBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-11-5-6-12(9-16(11)18)17(19)15-4-2-3-13-10-20-8-7-14(13)15/h2-10,17H,19H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine?
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 62813992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).