(5-bromo-7-methylisoquinolin-1-yl)methanamine

C11H11BrN2 — CID 125426674

IUPAC(5-bromo-7-methylisoquinolin-1-yl)methanamine
SMILESCc1cc(Br)c2ccnc(CN)c2c1
InChIInChI=1S/C11H11BrN2/c1-7-4-9-8(10(12)5-7)2-3-14-11(9)6-13/h2-5H,6,13H2,1H3
InChIKeyWBBKXOASCIFKDQ-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.76
Rot. Bonds1

About (5-bromo-7-methylisoquinolin-1-yl)methanamine

(5-bromo-7-methylisoquinolin-1-yl)methanamine (PubChem CID 125426674) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is (5-bromo-7-methylisoquinolin-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methylisoquinolin-1-yl)methanamine
PubChem CID125426674
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name(5-bromo-7-methylisoquinolin-1-yl)methanamine
SMILESCc1cc(Br)c2ccnc(CN)c2c1
InChIInChI=1S/C11H11BrN2/c1-7-4-9-8(10(12)5-7)2-3-14-11(9)6-13/h2-5H,6,13H2,1H3
InChIKeyWBBKXOASCIFKDQ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-5-fluoroisoquinolin-1-yl)methanamine
CID 125426567
5-bromo-7-methylisoquinoline-1-carboxylic acid
CID 82572033
(5,8-dimethylisoquinolin-1-yl)methanamine
CID 82405735
(5-fluoro-7-methoxyisoquinolin-1-yl)methanamine
CID 124505252
ethane;isoquinolin-1-ylmethanamine
CID 145267324
(6,8-dibromoisoquinolin-1-yl)methanamine
CID 125426485
[4-methyl-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118831271
4-bromo-8-fluoro-6-methylquinoline
CID 114764008
[4-(2-bromo-4-methylphenoxy)-2-pyridinyl]methanamine
CID 55125081
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
2-[2-(2-bromo-4-methylphenyl)pyrimidin-4-yl]ethanamine
CID 107915607

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methylisoquinolin-1-yl)methanamine?
The IUPAC name of (5-bromo-7-methylisoquinolin-1-yl)methanamine (CID 125426674) is (5-bromo-7-methylisoquinolin-1-yl)methanamine.
What is the SMILES notation for (5-bromo-7-methylisoquinolin-1-yl)methanamine?
The canonical SMILES for (5-bromo-7-methylisoquinolin-1-yl)methanamine is Cc1cc(Br)c2ccnc(CN)c2c1.
What is the InChIKey of (5-bromo-7-methylisoquinolin-1-yl)methanamine?
The InChIKey is WBBKXOASCIFKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-4-9-8(10(12)5-7)2-3-14-11(9)6-13/h2-5H,6,13H2,1H3.
What are the key properties of (5-bromo-7-methylisoquinolin-1-yl)methanamine?
(5-bromo-7-methylisoquinolin-1-yl)methanamine has a molecular weight of 251.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methylisoquinolin-1-yl)methanamine is sourced from PubChem (CID 125426674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).