N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine

C23H19FN2 — CID 42797597

IUPACN-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
SMILESFc1ccccc1CNCc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C23H19FN2/c24-23-9-5-4-8-19(23)15-26-14-18-10-11-20(17-6-2-1-3-7-17)21-12-13-25-16-22(18)21/h1-13,16,26H,14-15H2
InChIKeyMCHFUTLDTQLUQF-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.33
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine

N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine (PubChem CID 42797597) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
PubChem CID42797597
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
SMILESFc1ccccc1CNCc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C23H19FN2/c24-23-9-5-4-8-19(23)15-26-14-18-10-11-20(17-6-2-1-3-7-17)21-12-13-25-16-22(18)21/h1-13,16,26H,14-15H2
InChIKeyMCHFUTLDTQLUQF-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methylphenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 7356370
2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
CID 42797606
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
CID 125465641
N-[(2-fluorophenyl)methyl]-8-nitroisoquinolin-5-amine
CID 26452304
2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide
CID 90785048

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine (CID 42797597) is N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine is Fc1ccccc1CNCc1ccc(-c2ccccc2)c2ccncc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
The InChIKey is MCHFUTLDTQLUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2/c24-23-9-5-4-8-19(23)15-26-14-18-10-11-20(17-6-2-1-3-7-17)21-12-13-25-16-22(18)21/h1-13,16,26H,14-15H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine?
N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine has a molecular weight of 342.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine is sourced from PubChem (CID 42797597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).