isoquinolin-5-yl-(3-methoxyphenyl)methanamine

C17H16N2O — CID 62813526

IUPACisoquinolin-5-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc3cnccc23)c1
InChIInChI=1S/C17H16N2O/c1-20-14-6-2-4-12(10-14)17(18)16-7-3-5-13-11-19-9-8-15(13)16/h2-11,17H,18H2,1H3
InChIKeyJYZFWAURRPVPSD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.29
Rot. Bonds3

About isoquinolin-5-yl-(3-methoxyphenyl)methanamine

isoquinolin-5-yl-(3-methoxyphenyl)methanamine (PubChem CID 62813526) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is isoquinolin-5-yl-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-5-yl-(3-methoxyphenyl)methanamine
PubChem CID62813526
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Nameisoquinolin-5-yl-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2cccc3cnccc23)c1
InChIInChI=1S/C17H16N2O/c1-20-14-6-2-4-12(10-14)17(18)16-7-3-5-13-11-19-9-8-15(13)16/h2-11,17H,18H2,1H3
InChIKeyJYZFWAURRPVPSD-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze isoquinolin-5-yl-(3-methoxyphenyl)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

(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
CID 81298869
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(3-chloro-4-pyridinyl)-(3-methoxyphenyl)methanamine
CID 105086338
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(3-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 63989775
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697

Frequently Asked Questions

What is the IUPAC name of isoquinolin-5-yl-(3-methoxyphenyl)methanamine?
The IUPAC name of isoquinolin-5-yl-(3-methoxyphenyl)methanamine (CID 62813526) is isoquinolin-5-yl-(3-methoxyphenyl)methanamine.
What is the SMILES notation for isoquinolin-5-yl-(3-methoxyphenyl)methanamine?
The canonical SMILES for isoquinolin-5-yl-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2cccc3cnccc23)c1.
What is the InChIKey of isoquinolin-5-yl-(3-methoxyphenyl)methanamine?
The InChIKey is JYZFWAURRPVPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-14-6-2-4-12(10-14)17(18)16-7-3-5-13-11-19-9-8-15(13)16/h2-11,17H,18H2,1H3.
What are the key properties of isoquinolin-5-yl-(3-methoxyphenyl)methanamine?
isoquinolin-5-yl-(3-methoxyphenyl)methanamine has a molecular weight of 264.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-5-yl-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 62813526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).