N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine

C17H20BrN3 — CID 62281203

IUPACN-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1N1CCCc2ccccc21
InChIInChI=1S/C17H20BrN3/c1-2-19-11-14-10-15(18)12-20-17(14)21-9-5-7-13-6-3-4-8-16(13)21/h3-4,6,8,10,12,19H,2,5,7,9,11H2,1H3
InChIKeyYWUZCGGBLLPOFN-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.04
Rot. Bonds4

About N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine

N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 62281203) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID62281203
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1N1CCCc2ccccc21
InChIInChI=1S/C17H20BrN3/c1-2-19-11-14-10-15(18)12-20-17(14)21-9-5-7-13-6-3-4-8-16(13)21/h3-4,6,8,10,12,19H,2,5,7,9,11H2,1H3
InChIKeyYWUZCGGBLLPOFN-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-bromo-2-(2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62280668
N-[[5-bromo-2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279135
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62279125
N-[[6-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66456379
N-[[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methyl]ethanamine
CID 43281288
N-[[5-bromo-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 62888353
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501642
1-(3-bromo-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 106876518
3,5-dichloro-6-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylpyridin-2-amine
CID 102755251
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methylpyridine-3-carbonitrile
CID 102545068
[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
CID 102545819
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502844

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine (CID 62281203) is N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1N1CCCc2ccccc21.
What is the InChIKey of N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is YWUZCGGBLLPOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-2-19-11-14-10-15(18)12-20-17(14)21-9-5-7-13-6-3-4-8-16(13)21/h3-4,6,8,10,12,19H,2,5,7,9,11H2,1H3.
What are the key properties of N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62281203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).