(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

C11H15BrN2 — CID 83693378

IUPAC(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCN1CCc2c(Br)cccc2C1CN
InChIInChI=1S/C11H15BrN2/c1-14-6-5-8-9(11(14)7-13)3-2-4-10(8)12/h2-4,11H,5-7,13H2,1H3
InChIKeyGPIWEKBKTWUDII-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.94
Rot. Bonds1

About (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (PubChem CID 83693378) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
PubChem CID83693378
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
SMILESCN1CCc2c(Br)cccc2C1CN
InChIInChI=1S/C11H15BrN2/c1-14-6-5-8-9(11(14)7-13)3-2-4-10(8)12/h2-4,11H,5-7,13H2,1H3
InChIKeyGPIWEKBKTWUDII-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
(8-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82394731
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
(5-bromo-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84635120
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
CID 133057369
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
N-(2-bromophenyl)-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)acetamide
CID 4732430
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
(2,3-dimethyl-4-piperidin-1-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 82584838
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
(1S)-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline
CID 129266150

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The IUPAC name of (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine (CID 83693378) is (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The canonical SMILES for (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is CN1CCc2c(Br)cccc2C1CN.
What is the InChIKey of (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
The InChIKey is GPIWEKBKTWUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-14-6-5-8-9(11(14)7-13)3-2-4-10(8)12/h2-4,11H,5-7,13H2,1H3.
What are the key properties of (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine?
(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine has a molecular weight of 255.16 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine is sourced from PubChem (CID 83693378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).