4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine

C14H17BrN2 — CID 112618640

IUPAC4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2/c1-10(16-2)5-6-11-7-8-13(15)12-4-3-9-17-14(11)12/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyWWKYRIAYEBCDQH-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.54
Rot. Bonds4

About 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine

4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine (PubChem CID 112618640) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
PubChem CID112618640
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H17BrN2/c1-10(16-2)5-6-11-7-8-13(15)12-4-3-9-17-14(11)12/h3-4,7-10,16H,5-6H2,1-2H3
InChIKeyWWKYRIAYEBCDQH-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
5-[(5-bromoquinolin-8-yl)methylamino]pentan-2-ol
CID 107267644
N-[(5-bromoquinolin-8-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115968069
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
8-benzyl-5-bromoquinoline
CID 53421162
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 115959259
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine (CID 112618640) is 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine is CNC(C)CCc1ccc(Br)c2cccnc12.
What is the InChIKey of 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine?
The InChIKey is WWKYRIAYEBCDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-10(16-2)5-6-11-7-8-13(15)12-4-3-9-17-14(11)12/h3-4,7-10,16H,5-6H2,1-2H3.
What are the key properties of 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine?
4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine has a molecular weight of 293.21 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromoquinolin-8-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 112618640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).