1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine

C16H16Cl2N2 — CID 50941460

IUPAC1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3
InChIKeyRYIJMRFACOYPNH-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.80
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine

1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 50941460) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
PubChem CID50941460
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine
SMILESCNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3
InChIKeyRYIJMRFACOYPNH-UHFFFAOYSA-N
XLogP4.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine (CID 50941460) is 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine is CNC1CCN(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is RYIJMRFACOYPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2/c1-19-15-8-9-20(16-5-3-2-4-12(15)16)11-6-7-13(17)14(18)10-11/h2-7,10,15,19H,8-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine?
1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 307.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 50941460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).