1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine

C17H15FN2 — CID 115748158

IUPAC1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cncc3ccccc23)cc1
InChIInChI=1S/C17H15FN2/c18-16-7-5-13(6-8-16)9-19-11-15-12-20-10-14-3-1-2-4-17(14)15/h1-8,10,12,19H,9,11H2
InChIKeyDTXNLYSXLHEARR-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine

1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine (PubChem CID 115748158) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
PubChem CID115748158
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cncc3ccccc23)cc1
InChIInChI=1S/C17H15FN2/c18-16-7-5-13(6-8-16)9-19-11-15-12-20-10-14-3-1-2-4-17(14)15/h1-8,10,12,19H,9,11H2
InChIKeyDTXNLYSXLHEARR-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)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

4-[(isoquinolin-4-ylmethylamino)methyl]phenol
CID 115748371
1-(4-ethylphenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 103823450
1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
CID 17289839
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
2-(4-chlorophenyl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 115748173
1-isoquinolin-4-yl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 112702922
1-(4-fluorophenyl)-N-[(2-methylquinolin-4-yl)methyl]methanamine
CID 78978650
4-fluoro-N-(isoquinolin-4-ylmethyl)-2-methylaniline
CID 115884124
[2-[[(4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 110906091
2,6-dichloro-4-fluoro-N-(isoquinolin-4-ylmethyl)aniline
CID 104504008
3-(isoquinolin-4-ylmethylamino)propanoic acid
CID 104503840
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine (CID 115748158) is 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine is Fc1ccc(CNCc2cncc3ccccc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
The InChIKey is DTXNLYSXLHEARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c18-16-7-5-13(6-8-16)9-19-11-15-12-20-10-14-3-1-2-4-17(14)15/h1-8,10,12,19H,9,11H2.
What are the key properties of 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine has a molecular weight of 266.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine is sourced from PubChem (CID 115748158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).