(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine

C17H16BrN3 — CID 103940764

IUPAC(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCc1ccc(Br)c2cccnc12)c1cccnc1
InChIInChI=1S/C17H16BrN3/c1-12(13-4-2-8-19-10-13)21-11-14-6-7-16(18)15-5-3-9-20-17(14)15/h2-10,12,21H,11H2,1H3/t12-/m1/s1
InChIKeyNEGNVKOQFBYBFX-GFCCVEGCSA-N
MW342.24 g/mol
LogP4.24
Rot. Bonds4

About (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine

(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 103940764) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID103940764
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@@H](NCc1ccc(Br)c2cccnc12)c1cccnc1
InChIInChI=1S/C17H16BrN3/c1-12(13-4-2-8-19-10-13)21-11-14-6-7-16(18)15-5-3-9-20-17(14)15/h2-10,12,21H,11H2,1H3/t12-/m1/s1
InChIKeyNEGNVKOQFBYBFX-GFCCVEGCSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
N-[(5-bromoquinolin-8-yl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 115959259
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
(1S)-N-[(2-bromo-4-nitrophenyl)methyl]-1-pyridin-3-ylethanamine
CID 81405020
(1R)-N-(1-benzofuran-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 81404411
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474
2-[(5-bromoquinolin-8-yl)methylamino]-N-propylpropanamide
CID 115959136

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine (CID 103940764) is (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine is C[C@@H](NCc1ccc(Br)c2cccnc12)c1cccnc1.
What is the InChIKey of (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is NEGNVKOQFBYBFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-12(13-4-2-8-19-10-13)21-11-14-6-7-16(18)15-5-3-9-20-17(14)15/h2-10,12,21H,11H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine?
(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 342.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 103940764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).