N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine

C18H17BrN2 — CID 43731599

IUPACN-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine
SMILESCc1ccc(NC(C)c2ccccc2Br)c2cccnc12
InChIInChI=1S/C18H17BrN2/c1-12-9-10-17(15-7-5-11-20-18(12)15)21-13(2)14-6-3-4-8-16(14)19/h3-11,13,21H,1-2H3
InChIKeyUEYDJQLJODFGRI-UHFFFAOYSA-N
MW341.25 g/mol
LogP5.48
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine

N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine (PubChem CID 43731599) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine
PubChem CID43731599
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine
SMILESCc1ccc(NC(C)c2ccccc2Br)c2cccnc12
InChIInChI=1S/C18H17BrN2/c1-12-9-10-17(15-7-5-11-20-18(12)15)21-13(2)14-6-3-4-8-16(14)19/h3-11,13,21H,1-2H3
InChIKeyUEYDJQLJODFGRI-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.25
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-8-methylquinolin-5-amine
CID 43731487
N-[1-(2-bromophenyl)ethyl]naphthalen-1-amine
CID 43111727
8-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]quinolin-5-amine
CID 115928670
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(5-ethylthiophen-2-yl)ethyl]-8-methylquinolin-5-amine
CID 63445661
N-[1-(2-methylphenyl)ethyl]quinolin-8-amine
CID 43191669
N-[1-(2-bromophenyl)ethyl]isoquinolin-5-amine
CID 43681370
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
1-(8-methylquinolin-5-yl)-3-[(1S)-1-phenylethyl]urea
CID 51945829

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine (CID 43731599) is N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine is Cc1ccc(NC(C)c2ccccc2Br)c2cccnc12.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine?
The InChIKey is UEYDJQLJODFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-9-10-17(15-7-5-11-20-18(12)15)21-13(2)14-6-3-4-8-16(14)19/h3-11,13,21H,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine?
N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine has a molecular weight of 341.25 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-8-methylquinolin-5-amine is sourced from PubChem (CID 43731599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).