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

C16H19BrN2O — CID 104796321

IUPACN-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(C)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-3-18-9-13-8-12(2)4-7-16(13)20-11-15-6-5-14(17)10-19-15/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeyCAGWMPVRHIWFFB-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.84
Rot. Bonds6

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

N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine (PubChem CID 104796321) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
PubChem CID104796321
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine
SMILESCCNCc1cc(C)ccc1OCc1ccc(Br)cn1
InChIInChI=1S/C16H19BrN2O/c1-3-18-9-13-8-12(2)4-7-16(13)20-11-15-6-5-14(17)10-19-15/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeyCAGWMPVRHIWFFB-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-[[3-bromo-4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796270
5-bromo-2-[(2-methoxy-4-methylphenoxy)methyl]pyridine
CID 113455729
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
N-[[2-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 104796100
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
1-[2-[(5-bromo-2-pyridinyl)methoxy]-4-methylphenyl]ethanamine
CID 104796365
N-[[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 63323168
2-[2-(ethylaminomethyl)-4-methylphenoxy]acetonitrile
CID 63323548

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine (CID 104796321) is N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine is CCNCc1cc(C)ccc1OCc1ccc(Br)cn1.
What is the InChIKey of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine?
The InChIKey is CAGWMPVRHIWFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-18-9-13-8-12(2)4-7-16(13)20-11-15-6-5-14(17)10-19-15/h4-8,10,18H,3,9,11H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine?
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-5-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-2-pyridinyl)methoxy]-5-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 104796321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).