2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine

C12H16Cl2N2 — CID 82623727

IUPAC2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine
SMILESCN1CC(CCN)Cc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H16Cl2N2/c1-16-7-8(2-3-15)4-9-5-10(13)6-11(14)12(9)16/h5-6,8H,2-4,7,15H2,1H3
InChIKeyIJEQJRLABNTRII-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.95
Rot. Bonds2

About 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine

2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine (PubChem CID 82623727) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine
PubChem CID82623727
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine
SMILESCN1CC(CCN)Cc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C12H16Cl2N2/c1-16-7-8(2-3-15)4-9-5-10(13)6-11(14)12(9)16/h5-6,8H,2-4,7,15H2,1H3
InChIKeyIJEQJRLABNTRII-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine?
The IUPAC name of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine (CID 82623727) is 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine.
What is the SMILES notation for 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine?
The canonical SMILES for 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine is CN1CC(CCN)Cc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine?
The InChIKey is IJEQJRLABNTRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-16-7-8(2-3-15)4-9-5-10(13)6-11(14)12(9)16/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine?
2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine has a molecular weight of 259.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-3-yl)ethanamine is sourced from PubChem (CID 82623727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).