N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine

C15H16Br2N2O — CID 104796270

IUPACN-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Br)cn2)c(Br)c1
InChIInChI=1S/C15H16Br2N2O/c1-2-18-8-11-3-6-15(14(17)7-11)20-10-13-5-4-12(16)9-19-13/h3-7,9,18H,2,8,10H2,1H3
InChIKeyCQKATKZFHZJKOC-UHFFFAOYSA-N
MW400.11 g/mol
LogP4.30
Rot. Bonds6

About N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine

N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 104796270) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
PubChem CID104796270
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC NameN-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Br)cn2)c(Br)c1
InChIInChI=1S/C15H16Br2N2O/c1-2-18-8-11-3-6-15(14(17)7-11)20-10-13-5-4-12(16)9-19-13/h3-7,9,18H,2,8,10H2,1H3
InChIKeyCQKATKZFHZJKOC-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

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Related Compounds

N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 104796276
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63046886
2-[2-bromo-4-(ethylaminomethyl)phenoxy]ethanol
CID 63044980
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
N-[[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63046028
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
N-[[3-bromo-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 63044984
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine (CID 104796270) is N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(Br)cn2)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is CQKATKZFHZJKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-2-18-8-11-3-6-15(14(17)7-11)20-10-13-5-4-12(16)9-19-13/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]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-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 104796270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).