N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine

C18H17BrN2 — CID 115958942

IUPACN-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(Br)c2cccnc12)c1ccccc1
InChIInChI=1S/C18H17BrN2/c1-13(14-6-3-2-4-7-14)21-12-15-9-10-17(19)16-8-5-11-20-18(15)16/h2-11,13,21H,12H2,1H3
InChIKeyGIKNURCNGMXMKM-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.85
Rot. Bonds4

About N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine

N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine (PubChem CID 115958942) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
PubChem CID115958942
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
SMILESCC(NCc1ccc(Br)c2cccnc12)c1ccccc1
InChIInChI=1S/C18H17BrN2/c1-13(14-6-3-2-4-7-14)21-12-15-9-10-17(19)16-8-5-11-20-18(15)16/h2-11,13,21H,12H2,1H3
InChIKeyGIKNURCNGMXMKM-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
CID 103940764
N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 115959259
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018
8-benzyl-5-bromoquinoline
CID 53421162
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-methylcyclopropan-1-amine
CID 115968174

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine (CID 115958942) is N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine is CC(NCc1ccc(Br)c2cccnc12)c1ccccc1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine?
The InChIKey is GIKNURCNGMXMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-13(14-6-3-2-4-7-14)21-12-15-9-10-17(19)16-8-5-11-20-18(15)16/h2-11,13,21H,12H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine?
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 115958942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).