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

C15H16Br2N2O — CID 82831389

IUPACN-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCc1ccccc1Br
InChIInChI=1S/C15H16Br2N2O/c1-2-18-8-12-7-13(16)9-19-15(12)20-10-11-5-3-4-6-14(11)17/h3-7,9,18H,2,8,10H2,1H3
InChIKeyHCGGZBGNJHOOPH-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.30
Rot. Bonds6

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

N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 82831389) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID82831389
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC NameN-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Br)cnc1OCc1ccccc1Br
InChIInChI=1S/C15H16Br2N2O/c1-2-18-8-12-7-13(16)9-19-15(12)20-10-11-5-3-4-6-14(11)17/h3-7,9,18H,2,8,10H2,1H3
InChIKeyHCGGZBGNJHOOPH-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
N-[[2-[(2-bromophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391709
N-[[5-bromo-2-(2,3-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296755
N-[[5-bromo-2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 83134584
N-[[5-bromo-2-(2-cyclopropylethoxy)-3-pyridinyl]methyl]ethanamine
CID 106205348
N-[[6-[(2-bromophenyl)methoxy]pyrazin-2-yl]methyl]ethanamine
CID 82832374
N-[[6-[(2-bromophenyl)methoxy]pyridazin-3-yl]methyl]ethanamine
CID 82831544
N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62289903
N-[[5-bromo-2-(2-ethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63489696
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
N-[[5-bromo-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]ethanamine
CID 103175461

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (CID 82831389) is N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cc(Br)cnc1OCc1ccccc1Br.
What is the InChIKey of N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is HCGGZBGNJHOOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-2-18-8-12-7-13(16)9-19-15(12)20-10-11-5-3-4-6-14(11)17/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 400.11 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82831389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).