2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine

C12H16Cl2N2 — CID 82623732

IUPAC2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine
SMILESCN1CCC(CCN)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H16Cl2N2/c1-16-7-5-8(4-6-15)11-9(13)2-3-10(14)12(11)16/h2-3,8H,4-7,15H2,1H3
InChIKeyRQVCSJBRDNHVMN-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.27
Rot. Bonds2

About 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine

2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine (PubChem CID 82623732) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine
PubChem CID82623732
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine
SMILESCN1CCC(CCN)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C12H16Cl2N2/c1-16-7-5-8(4-6-15)11-9(13)2-3-10(14)12(11)16/h2-3,8H,4-7,15H2,1H3
InChIKeyRQVCSJBRDNHVMN-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine?
The IUPAC name of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine (CID 82623732) is 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine.
What is the SMILES notation for 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine?
The canonical SMILES for 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine is CN1CCC(CCN)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine?
The InChIKey is RQVCSJBRDNHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-16-7-5-8(4-6-15)11-9(13)2-3-10(14)12(11)16/h2-3,8H,4-7,15H2,1H3.
What are the key properties of 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine?
2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine has a molecular weight of 259.18 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dichloro-1-methyl-3,4-dihydro-2H-quinolin-4-yl)ethanamine is sourced from PubChem (CID 82623732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).