1-(2-chloro-3-ethylquinolin-6-yl)ethanamine

C13H15ClN2 — CID 82023652

IUPAC1-(2-chloro-3-ethylquinolin-6-yl)ethanamine
SMILESCCc1cc2cc(C(C)N)ccc2nc1Cl
InChIInChI=1S/C13H15ClN2/c1-3-9-6-11-7-10(8(2)15)4-5-12(11)16-13(9)14/h4-8H,3,15H2,1-2H3
InChIKeyZAVURGKVTBTAKP-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.47
Rot. Bonds2

About 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine

1-(2-chloro-3-ethylquinolin-6-yl)ethanamine (PubChem CID 82023652) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-ethylquinolin-6-yl)ethanamine
PubChem CID82023652
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(2-chloro-3-ethylquinolin-6-yl)ethanamine
SMILESCCc1cc2cc(C(C)N)ccc2nc1Cl
InChIInChI=1S/C13H15ClN2/c1-3-9-6-11-7-10(8(2)15)4-5-12(11)16-13(9)14/h4-8H,3,15H2,1-2H3
InChIKeyZAVURGKVTBTAKP-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine?
The IUPAC name of 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine (CID 82023652) is 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine is CCc1cc2cc(C(C)N)ccc2nc1Cl.
What is the InChIKey of 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine?
The InChIKey is ZAVURGKVTBTAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-3-9-6-11-7-10(8(2)15)4-5-12(11)16-13(9)14/h4-8H,3,15H2,1-2H3.
What are the key properties of 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine?
1-(2-chloro-3-ethylquinolin-6-yl)ethanamine has a molecular weight of 234.73 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-ethylquinolin-6-yl)ethanamine is sourced from PubChem (CID 82023652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).