3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine

C13H14Cl2N2 — CID 82247293

IUPAC3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C13H14Cl2N2/c1-8(7-16)4-10-2-3-11-12(15)5-9(14)6-13(11)17-10/h2-3,5-6,8H,4,7,16H2,1H3
InChIKeyLEMTZQQCMGOKOT-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.68
Rot. Bonds3

About 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine

3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine (PubChem CID 82247293) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
PubChem CID82247293
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1ccc2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C13H14Cl2N2/c1-8(7-16)4-10-2-3-11-12(15)5-9(14)6-13(11)17-10/h2-3,5-6,8H,4,7,16H2,1H3
InChIKeyLEMTZQQCMGOKOT-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine (CID 82247293) is 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1ccc2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine?
The InChIKey is LEMTZQQCMGOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-8(7-16)4-10-2-3-11-12(15)5-9(14)6-13(11)17-10/h2-3,5-6,8H,4,7,16H2,1H3.
What are the key properties of 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine?
3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine has a molecular weight of 269.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dichloroquinolin-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82247293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).