2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine

C18H17BrN2 — CID 63222720

IUPAC2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc2ccccc2n1
InChIInChI=1S/C18H17BrN2/c1-20-18(12-14-7-2-4-8-15(14)19)17-11-10-13-6-3-5-9-16(13)21-17/h2-11,18,20H,12H2,1H3
InChIKeyYFASQMQEWTUBKN-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.50
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine

2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine (PubChem CID 63222720) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine
PubChem CID63222720
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc2ccccc2n1
InChIInChI=1S/C18H17BrN2/c1-20-18(12-14-7-2-4-8-15(14)19)17-11-10-13-6-3-5-9-16(13)21-17/h2-11,18,20H,12H2,1H3
InChIKeyYFASQMQEWTUBKN-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-quinolin-2-ylbut-3-yn-1-amine
CID 63222554
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
2-(2-bromophenyl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105087401
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
N-methyl-1-quinolin-2-ylhex-4-yn-1-amine
CID 104805621
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
N-methyl-3-methylidene-1-quinolin-2-ylpentan-1-amine
CID 66036857
[2-(2-chlorophenyl)-1-quinolin-2-ylethyl]hydrazine
CID 105218699
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
2-(2-bromophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115786752
N-methyl-1-quinolin-2-yloct-7-en-1-amine
CID 107009092

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine (CID 63222720) is 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine is CNC(Cc1ccccc1Br)c1ccc2ccccc2n1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine?
The InChIKey is YFASQMQEWTUBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-20-18(12-14-7-2-4-8-15(14)19)17-11-10-13-6-3-5-9-16(13)21-17/h2-11,18,20H,12H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine?
2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-1-quinolin-2-ylethanamine is sourced from PubChem (CID 63222720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).