N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine

C15H16Br2N2 — CID 104811260

IUPACN-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
SMILESBrCCN(Cc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C15H16Br2N2/c16-6-7-19(11-13-4-2-1-3-5-13)12-14-8-15(17)10-18-9-14/h1-5,8-10H,6-7,11-12H2
InChIKeyIYHLLNUWICRAQS-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine

N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine (PubChem CID 104811260) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
PubChem CID104811260
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC NameN-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
SMILESBrCCN(Cc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C15H16Br2N2/c16-6-7-19(11-13-4-2-1-3-5-13)12-14-8-15(17)10-18-9-14/h1-5,8-10H,6-7,11-12H2
InChIKeyIYHLLNUWICRAQS-UHFFFAOYSA-N
XLogP4.24
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793
N-(2-bromoethyl)-N-[(5-bromo-3-pyridinyl)methyl]-2,2-difluoroethanamine
CID 107487738
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
N-benzyl-2-bromo-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 105409034
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
N-benzyl-N-[(3-bromophenyl)methyl]-2-chloroethanamine
CID 55182943
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N'-[(5-bromo-3-pyridinyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104798126
3-[(5-bromo-3-pyridinyl)methyl-ethylamino]propanenitrile
CID 115673209
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
N-benzyl-2-bromo-N-[(2-fluorophenyl)methyl]ethanamine
CID 80680387

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine (CID 104811260) is N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine is BrCCN(Cc1ccccc1)Cc1cncc(Br)c1.
What is the InChIKey of N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
The InChIKey is IYHLLNUWICRAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c16-6-7-19(11-13-4-2-1-3-5-13)12-14-8-15(17)10-18-9-14/h1-5,8-10H,6-7,11-12H2.
What are the key properties of N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine?
N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine has a molecular weight of 384.12 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 104811260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).