(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine

C17H15FN2 — CID 103135921

IUPAC(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
SMILESCc1ccc(F)c(C(N)c2cccc3ccncc23)c1
InChIInChI=1S/C17H15FN2/c1-11-5-6-16(18)14(9-11)17(19)13-4-2-3-12-7-8-20-10-15(12)13/h2-10,17H,19H2,1H3
InChIKeyQPMMRLYIMUQBDK-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.73
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine

(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine (PubChem CID 103135921) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
PubChem CID103135921
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine
SMILESCc1ccc(F)c(C(N)c2cccc3ccncc23)c1
InChIInChI=1S/C17H15FN2/c1-11-5-6-16(18)14(9-11)17(19)13-4-2-3-12-7-8-20-10-15(12)13/h2-10,17H,19H2,1H3
InChIKeyQPMMRLYIMUQBDK-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

[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
(2-fluoro-5-methylphenyl)-quinolin-5-ylmethanamine
CID 105020084
(4-bromo-2-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103136741
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
1-(5-chloro-2-fluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103137911
8-(2-fluoro-4-methylphenyl)isoquinoline
CID 90260610
(3-chloro-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103137069
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanamine
CID 103135968
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine (CID 103135921) is (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine is Cc1ccc(F)c(C(N)c2cccc3ccncc23)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine?
The InChIKey is QPMMRLYIMUQBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-11-5-6-16(18)14(9-11)17(19)13-4-2-3-12-7-8-20-10-15(12)13/h2-10,17H,19H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine?
(2-fluoro-5-methylphenyl)-isoquinolin-8-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 (2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethanamine is sourced from PubChem (CID 103135921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).