2-(8-chloro-4-methylquinolin-2-yl)ethanamine

C12H13ClN2 — CID 82575547

IUPAC2-(8-chloro-4-methylquinolin-2-yl)ethanamine
SMILESCc1cc(CCN)nc2c(Cl)cccc12
InChIInChI=1S/C12H13ClN2/c1-8-7-9(5-6-14)15-12-10(8)3-2-4-11(12)13/h2-4,7H,5-6,14H2,1H3
InChIKeyFOMNMHLMZYRVRS-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.70
Rot. Bonds2

About 2-(8-chloro-4-methylquinolin-2-yl)ethanamine

2-(8-chloro-4-methylquinolin-2-yl)ethanamine (PubChem CID 82575547) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-(8-chloro-4-methylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(8-chloro-4-methylquinolin-2-yl)ethanamine
PubChem CID82575547
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-(8-chloro-4-methylquinolin-2-yl)ethanamine
SMILESCc1cc(CCN)nc2c(Cl)cccc12
InChIInChI=1S/C12H13ClN2/c1-8-7-9(5-6-14)15-12-10(8)3-2-4-11(12)13/h2-4,7H,5-6,14H2,1H3
InChIKeyFOMNMHLMZYRVRS-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-4-methylquinolin-2-yl)ethanamine?
The IUPAC name of 2-(8-chloro-4-methylquinolin-2-yl)ethanamine (CID 82575547) is 2-(8-chloro-4-methylquinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(8-chloro-4-methylquinolin-2-yl)ethanamine?
The canonical SMILES for 2-(8-chloro-4-methylquinolin-2-yl)ethanamine is Cc1cc(CCN)nc2c(Cl)cccc12.
What is the InChIKey of 2-(8-chloro-4-methylquinolin-2-yl)ethanamine?
The InChIKey is FOMNMHLMZYRVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-8-7-9(5-6-14)15-12-10(8)3-2-4-11(12)13/h2-4,7H,5-6,14H2,1H3.
What are the key properties of 2-(8-chloro-4-methylquinolin-2-yl)ethanamine?
2-(8-chloro-4-methylquinolin-2-yl)ethanamine has a molecular weight of 220.70 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-4-methylquinolin-2-yl)ethanamine is sourced from PubChem (CID 82575547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).