(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine

C10H13BrN2 — CID 83672603

IUPAC(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
SMILESNCC1CCNc2cc(Br)ccc21
InChIInChI=1S/C10H13BrN2/c11-8-1-2-9-7(6-12)3-4-13-10(9)5-8/h1-2,5,7,13H,3-4,6,12H2
InChIKeyUFYKLTWPEVXYHV-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.31
Rot. Bonds1

About (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine

(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine (PubChem CID 83672603) has the molecular formula C10H13BrN2 and a molecular weight of 241.13 g/mol. Its IUPAC name is (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
PubChem CID83672603
Molecular FormulaC10H13BrN2
Molecular Weight241.13 g/mol
Exact Mass240.03
IUPAC Name(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
SMILESNCC1CCNc2cc(Br)ccc21
InChIInChI=1S/C10H13BrN2/c11-8-1-2-9-7(6-12)3-4-13-10(9)5-8/h1-2,5,7,13H,3-4,6,12H2
InChIKeyUFYKLTWPEVXYHV-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromo-2,3-dihydro-1H-indol-3-yl)methanamine
CID 82276709
4-(bromomethyl)-1,2,3,4-tetrahydroquinoline
CID 119093179
(8-bromo-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82245482
(4S)-4-ethyl-1,2,3,4-tetrahydroquinolin-7-ol
CID 70161946
(8-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276244
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
6-bromo-1,2,3,4-tetrahydroquinolin-4-ol
CID 130137755
(6-bromo-1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 82623345
(8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)methanamine
CID 82276255
(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine
CID 82403784

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine?
The IUPAC name of (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine (CID 83672603) is (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine.
What is the SMILES notation for (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine?
The canonical SMILES for (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine is NCC1CCNc2cc(Br)ccc21.
What is the InChIKey of (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine?
The InChIKey is UFYKLTWPEVXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2/c11-8-1-2-9-7(6-12)3-4-13-10(9)5-8/h1-2,5,7,13H,3-4,6,12H2.
What are the key properties of (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine?
(7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine has a molecular weight of 241.13 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1,2,3,4-tetrahydroquinolin-4-yl)methanamine is sourced from PubChem (CID 83672603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).