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

C15H17BrN2O — CID 104796087

IUPACN-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cncc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-17-8-12-3-5-15(6-4-12)19-11-13-7-14(16)10-18-9-13/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyBBTZSYDMZSDBGY-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.53
Rot. Bonds6

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

N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 104796087) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
PubChem CID104796087
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cncc(Br)c2)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-17-8-12-3-5-15(6-4-12)19-11-13-7-14(16)10-18-9-13/h3-7,9-10,17H,2,8,11H2,1H3
InChIKeyBBTZSYDMZSDBGY-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 104796407
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
3-bromo-5-[[4-(2-methoxyethyl)phenoxy]methyl]pyridine
CID 115582278
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[3-[(5-bromo-3-pyridinyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457738
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796465
1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]propan-1-amine
CID 104796044
N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine (CID 104796087) is N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2cncc(Br)c2)cc1.
What is the InChIKey of N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is BBTZSYDMZSDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-17-8-12-3-5-15(6-4-12)19-11-13-7-14(16)10-18-9-13/h3-7,9-10,17H,2,8,11H2,1H3.
What are the key properties of N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine?
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 104796087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).