(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine

C16H13FN2 — CID 103144000

IUPAC(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
SMILESNCc1ccc(F)c(-c2cccc3ccncc23)c1
InChIInChI=1S/C16H13FN2/c17-16-5-4-11(9-18)8-14(16)13-3-1-2-12-6-7-19-10-15(12)13/h1-8,10H,9,18H2
InChIKeyFSJXPVXISNEXJU-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.50
Rot. Bonds2

About (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine

(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine (PubChem CID 103144000) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
PubChem CID103144000
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine
SMILESNCc1ccc(F)c(-c2cccc3ccncc23)c1
InChIInChI=1S/C16H13FN2/c17-16-5-4-11(9-18)8-14(16)13-3-1-2-12-6-7-19-10-15(12)13/h1-8,10H,9,18H2
InChIKeyFSJXPVXISNEXJU-UHFFFAOYSA-N
XLogP3.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-isoquinolin-5-yl-4-methylphenyl)methanamine
CID 105408745
[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708717
8-(2-fluoro-4-methylphenyl)isoquinoline
CID 90260610
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
8-phenanthren-9-ylisoquinoline
CID 171383107
1-(5-ethyl-2-fluorophenyl)naphthalene
CID 90266640
(4-fluoro-3-naphthalen-2-ylphenyl)methanamine
CID 54912183
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
[4-fluoro-3-(3-fluorophenyl)phenyl]methanamine
CID 46312433
4-chloro-2-isoquinolin-8-ylbenzoic acid
CID 107989947
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine?
The IUPAC name of (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine (CID 103144000) is (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine.
What is the SMILES notation for (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine?
The canonical SMILES for (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine is NCc1ccc(F)c(-c2cccc3ccncc23)c1.
What is the InChIKey of (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine?
The InChIKey is FSJXPVXISNEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-16-5-4-11(9-18)8-14(16)13-3-1-2-12-6-7-19-10-15(12)13/h1-8,10H,9,18H2.
What are the key properties of (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine?
(4-fluoro-3-isoquinolin-8-ylphenyl)methanamine has a molecular weight of 252.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-isoquinolin-8-ylphenyl)methanamine is sourced from PubChem (CID 103144000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).