[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine

C16H13ClN2 — CID 82583156

IUPAC[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2c(Cl)ccc3cnccc23)c1
InChIInChI=1S/C16H13ClN2/c17-15-5-4-13-10-19-7-6-14(13)16(15)12-3-1-2-11(8-12)9-18/h1-8,10H,9,18H2
InChIKeyHKHXCHSIQCPOIX-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.01
Rot. Bonds2

About [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine

[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine (PubChem CID 82583156) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine
PubChem CID82583156
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2c(Cl)ccc3cnccc23)c1
InChIInChI=1S/C16H13ClN2/c17-15-5-4-13-10-19-7-6-14(13)16(15)12-3-1-2-11(8-12)9-18/h1-8,10H,9,18H2
InChIKeyHKHXCHSIQCPOIX-UHFFFAOYSA-N
XLogP4.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine?
The IUPAC name of [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine (CID 82583156) is [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine is NCc1cccc(-c2c(Cl)ccc3cnccc23)c1.
What is the InChIKey of [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine?
The InChIKey is HKHXCHSIQCPOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-15-5-4-13-10-19-7-6-14(13)16(15)12-3-1-2-11(8-12)9-18/h1-8,10H,9,18H2.
What are the key properties of [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine?
[3-(6-chloroisoquinolin-5-yl)phenyl]methanamine has a molecular weight of 268.75 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloroisoquinolin-5-yl)phenyl]methanamine is sourced from PubChem (CID 82583156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).