(8-chloro-1-methylisoquinolin-5-yl)methanamine

C11H11ClN2 — CID 115024955

IUPAC(8-chloro-1-methylisoquinolin-5-yl)methanamine
SMILESCc1nccc2c(CN)ccc(Cl)c12
InChIInChI=1S/C11H11ClN2/c1-7-11-9(4-5-14-7)8(6-13)2-3-10(11)12/h2-5H,6,13H2,1H3
InChIKeySVARDUMMDMVULJ-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.66
Rot. Bonds1

About (8-chloro-1-methylisoquinolin-5-yl)methanamine

(8-chloro-1-methylisoquinolin-5-yl)methanamine (PubChem CID 115024955) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is (8-chloro-1-methylisoquinolin-5-yl)methanamine.

Molecular Properties

Compound Name(8-chloro-1-methylisoquinolin-5-yl)methanamine
PubChem CID115024955
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name(8-chloro-1-methylisoquinolin-5-yl)methanamine
SMILESCc1nccc2c(CN)ccc(Cl)c12
InChIInChI=1S/C11H11ClN2/c1-7-11-9(4-5-14-7)8(6-13)2-3-10(11)12/h2-5H,6,13H2,1H3
InChIKeySVARDUMMDMVULJ-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-chloro-1-methylisoquinolin-5-yl)methanamine?
The IUPAC name of (8-chloro-1-methylisoquinolin-5-yl)methanamine (CID 115024955) is (8-chloro-1-methylisoquinolin-5-yl)methanamine.
What is the SMILES notation for (8-chloro-1-methylisoquinolin-5-yl)methanamine?
The canonical SMILES for (8-chloro-1-methylisoquinolin-5-yl)methanamine is Cc1nccc2c(CN)ccc(Cl)c12.
What is the InChIKey of (8-chloro-1-methylisoquinolin-5-yl)methanamine?
The InChIKey is SVARDUMMDMVULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-7-11-9(4-5-14-7)8(6-13)2-3-10(11)12/h2-5H,6,13H2,1H3.
What are the key properties of (8-chloro-1-methylisoquinolin-5-yl)methanamine?
(8-chloro-1-methylisoquinolin-5-yl)methanamine has a molecular weight of 206.68 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloro-1-methylisoquinolin-5-yl)methanamine is sourced from PubChem (CID 115024955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).