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

C15H17BrN2O — CID 104796088

IUPACN-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-17-9-12-3-7-15(8-4-12)19-11-14-6-5-13(16)10-18-14/h3-8,10,17H,2,9,11H2,1H3
InChIKeyUNIRQDMSHJGAJZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.53
Rot. Bonds6

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

N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine (PubChem CID 104796088) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
PubChem CID104796088
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-17-9-12-3-7-15(8-4-12)19-11-14-6-5-13(16)10-18-14/h3-8,10,17H,2,9,11H2,1H3
InChIKeyUNIRQDMSHJGAJZ-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

N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
N-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
5-bromo-2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]pyridine
CID 104809617
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 104796321
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782055
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[4-[(4-iodophenyl)methoxy]phenyl]methyl]ethanamine
CID 65499942

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine (CID 104796088) is N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(Br)cn2)cc1.
What is the InChIKey of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is UNIRQDMSHJGAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-17-9-12-3-7-15(8-4-12)19-11-14-6-5-13(16)10-18-14/h3-8,10,17H,2,9,11H2,1H3.
What are the key properties of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine?
N-[[4-[(5-bromo-2-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-2-pyridinyl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 104796088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).