2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine

C18H17BrN2 — CID 63948036

IUPAC2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1nccc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-20-17(12-13-6-8-15(19)9-7-13)18-16-5-3-2-4-14(16)10-11-21-18/h2-11,17,20H,12H2,1H3
InChIKeyMGZVYWDVZCJLJY-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine

2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine (PubChem CID 63948036) has the molecular formula C18H17BrN2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
PubChem CID63948036
Molecular FormulaC18H17BrN2
Molecular Weight341.25 g/mol
Exact Mass340.06
IUPAC Name2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1nccc2ccccc12
InChIInChI=1S/C18H17BrN2/c1-20-17(12-13-6-8-15(19)9-7-13)18-16-5-3-2-4-14(16)10-11-21-18/h2-11,17,20H,12H2,1H3
InChIKeyMGZVYWDVZCJLJY-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

2-(4-fluorophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63950074
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79824265
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
CID 63948446
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-4-ylethanamine
CID 113398487
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
2-(4-bromophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362970
1-isoquinolin-1-yl-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515594
2-(4-iodophenyl)-1-isoquinolin-1-ylethanamine
CID 65476898
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
2-(4-iodophenyl)-N-methyl-1-quinolin-4-ylethanamine
CID 105151840

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine (CID 63948036) is 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1nccc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine?
The InChIKey is MGZVYWDVZCJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2/c1-20-17(12-13-6-8-15(19)9-7-13)18-16-5-3-2-4-14(16)10-11-21-18/h2-11,17,20H,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine?
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine 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-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine is sourced from PubChem (CID 63948036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).