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

C16H19BrN2O — CID 104796465

IUPACN-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cncc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-3-18-9-14-6-4-5-12(2)16(14)20-11-13-7-15(17)10-19-8-13/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeySJUAZHAMNZCUSF-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.84
Rot. Bonds6

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

N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine (PubChem CID 104796465) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
PubChem CID104796465
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cncc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-3-18-9-14-6-4-5-12(2)16(14)20-11-13-7-15(17)10-19-8-13/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeySJUAZHAMNZCUSF-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 104796493
2-[(5-bromo-3-pyridinyl)methoxy]-3-methylaniline
CID 113454032
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
N-[[5-bromo-3-methyl-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 115961186
N-[[4-[(5-bromo-3-pyridinyl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 104796407
N-[[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796087
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952657
N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine (CID 104796465) is N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCc1cncc(Br)c1.
What is the InChIKey of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The InChIKey is SJUAZHAMNZCUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-18-9-14-6-4-5-12(2)16(14)20-11-13-7-15(17)10-19-8-13/h4-8,10,18H,3,9,11H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine?
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine has a molecular weight of 335.25 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-3-pyridinyl)methoxy]-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 104796465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).