1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine

C18H17BrN2 — CID 81197983

IUPAC1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine
SMILESCc1ccc2cc(C(C)(N)c3ccccc3Br)ccc2n1
InChIInChI=1S/C18H17BrN2/c1-12-7-8-13-11-14(9-10-17(13)21-12)18(2,20)15-5-3-4-6-16(15)19/h3-11H,20H2,1-2H3
InChIKeyDGXLAOXRARNEBQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.53
Rot. Bonds2

About 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine

1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine (PubChem CID 81197983) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine
PubChem CID81197983
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine
SMILESCc1ccc2cc(C(C)(N)c3ccccc3Br)ccc2n1
InChIInChI=1S/C18H17BrN2/c1-12-7-8-13-11-14(9-10-17(13)21-12)18(2,20)15-5-3-4-6-16(15)19/h3-11H,20H2,1-2H3
InChIKeyDGXLAOXRARNEBQ-UHFFFAOYSA-N
XLogP4.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine (CID 81197983) is 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine is Cc1ccc2cc(C(C)(N)c3ccccc3Br)ccc2n1.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine?
The InChIKey is DGXLAOXRARNEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-12-7-8-13-11-14(9-10-17(13)21-12)18(2,20)15-5-3-4-6-16(15)19/h3-11H,20H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine?
1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine has a molecular weight of 341.25 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-methylquinolin-6-yl)ethanamine is sourced from PubChem (CID 81197983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).