2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine

C18H17BrN2 — CID 105087602

IUPAC2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccccc2Br)c2ccccc2n1
InChIInChI=1S/C18H17BrN2/c1-12-10-15(14-7-3-5-9-18(14)21-12)17(20)11-13-6-2-4-8-16(13)19/h2-10,17H,11,20H2,1H3
InChIKeyDXHAJRMODSWMCO-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.55
Rot. Bonds3

About 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine

2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine (PubChem CID 105087602) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
PubChem CID105087602
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine
SMILESCc1cc(C(N)Cc2ccccc2Br)c2ccccc2n1
InChIInChI=1S/C18H17BrN2/c1-12-10-15(14-7-3-5-9-18(14)21-12)17(20)11-13-6-2-4-8-16(13)19/h2-10,17H,11,20H2,1H3
InChIKeyDXHAJRMODSWMCO-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylquinolin-4-yl)-2-phenylethanamine
CID 105084872
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
2-(4-fluorophenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105087104
2-(3-methylphenyl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105091263
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
1-(2-methylquinolin-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105178009
2-(2-bromophenyl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105087456
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
(3-bromofuran-2-yl)-(2-methylquinolin-4-yl)methanamine
CID 105150602
1-(2-methylquinolin-4-yl)pentan-1-ol
CID 79235698
[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
CID 105322666

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine (CID 105087602) is 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine is Cc1cc(C(N)Cc2ccccc2Br)c2ccccc2n1.
What is the InChIKey of 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
The InChIKey is DXHAJRMODSWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-10-15(14-7-3-5-9-18(14)21-12)17(20)11-13-6-2-4-8-16(13)19/h2-10,17H,11,20H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine?
2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2-methylquinolin-4-yl)ethanamine is sourced from PubChem (CID 105087602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).