3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine

C13H16BrN3 — CID 82251255

IUPAC3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine
SMILESCc1nc2c(Br)cccc2c(N(C)C)c1CN
InChIInChI=1S/C13H16BrN3/c1-8-10(7-15)13(17(2)3)9-5-4-6-11(14)12(9)16-8/h4-6H,7,15H2,1-3H3
InChIKeyRWRFNLZWDIZJNV-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.83
Rot. Bonds2

About 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine

3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine (PubChem CID 82251255) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine
PubChem CID82251255
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine
SMILESCc1nc2c(Br)cccc2c(N(C)C)c1CN
InChIInChI=1S/C13H16BrN3/c1-8-10(7-15)13(17(2)3)9-5-4-6-11(14)12(9)16-8/h4-6H,7,15H2,1-3H3
InChIKeyRWRFNLZWDIZJNV-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine?
The IUPAC name of 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine (CID 82251255) is 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine?
The canonical SMILES for 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine is Cc1nc2c(Br)cccc2c(N(C)C)c1CN.
What is the InChIKey of 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine?
The InChIKey is RWRFNLZWDIZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8-10(7-15)13(17(2)3)9-5-4-6-11(14)12(9)16-8/h4-6H,7,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine?
3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine has a molecular weight of 294.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-8-bromo-N,N,2-trimethylquinolin-4-amine is sourced from PubChem (CID 82251255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).