(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine

C11H15BrN2 — CID 82623345

IUPAC(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
SMILESCN1CCC(CN)c2cc(Br)ccc21
InChIInChI=1S/C11H15BrN2/c1-14-5-4-8(7-13)10-6-9(12)2-3-11(10)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyJZUQAKSPWVEWLM-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.33
Rot. Bonds1

About (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine

(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine (PubChem CID 82623345) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
PubChem CID82623345
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
SMILESCN1CCC(CN)c2cc(Br)ccc21
InChIInChI=1S/C11H15BrN2/c1-14-5-4-8(7-13)10-6-9(12)2-3-11(10)14/h2-3,6,8H,4-5,7,13H2,1H3
InChIKeyJZUQAKSPWVEWLM-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84643191
7-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 83843274
1-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)ethanamine
CID 82277266
2-(6-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetic acid
CID 83838175
(1,5-dimethyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 112709575
3-(5-bromo-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117202168
2-(1,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84623134
(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 83672603
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
(5-bromo-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83912845
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245482

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine?
The IUPAC name of (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine (CID 82623345) is (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine.
What is the SMILES notation for (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine?
The canonical SMILES for (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine is CN1CCC(CN)c2cc(Br)ccc21.
What is the InChIKey of (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine?
The InChIKey is JZUQAKSPWVEWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-14-5-4-8(7-13)10-6-9(12)2-3-11(10)14/h2-3,6,8H,4-5,7,13H2,1H3.
What are the key properties of (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine?
(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine has a molecular weight of 255.16 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine is sourced from PubChem (CID 82623345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).