2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine

C12H17ClN2 — CID 84624761

IUPAC2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
SMILESCN1c2cc(Cl)ccc2CCC1CCN
InChIInChI=1S/C12H17ClN2/c1-15-11(6-7-14)5-3-9-2-4-10(13)8-12(9)15/h2,4,8,11H,3,5-7,14H2,1H3
InChIKeyJJEWSGRJMYFZLF-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.44
Rot. Bonds2

About 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine

2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine (PubChem CID 84624761) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
PubChem CID84624761
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
SMILESCN1c2cc(Cl)ccc2CCC1CCN
InChIInChI=1S/C12H17ClN2/c1-15-11(6-7-14)5-3-9-2-4-10(13)8-12(9)15/h2,4,8,11H,3,5-7,14H2,1H3
InChIKeyJJEWSGRJMYFZLF-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
The IUPAC name of 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine (CID 84624761) is 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine.
What is the SMILES notation for 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
The canonical SMILES for 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine is CN1c2cc(Cl)ccc2CCC1CCN.
What is the InChIKey of 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
The InChIKey is JJEWSGRJMYFZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-15-11(6-7-14)5-3-9-2-4-10(13)8-12(9)15/h2,4,8,11H,3,5-7,14H2,1H3.
What are the key properties of 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine?
2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine is sourced from PubChem (CID 84624761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).