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

C16H19BrN2O2 — CID 79782055

IUPACN-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cc(Br)ccc2OC)cn1
InChIInChI=1S/C16H19BrN2O2/c1-3-18-9-14-5-6-15(10-19-14)21-11-12-8-13(17)4-7-16(12)20-2/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeyYNGOFBBVVQDHTB-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.54
Rot. Bonds7

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

N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 79782055) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
PubChem CID79782055
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cc(Br)ccc2OC)cn1
InChIInChI=1S/C16H19BrN2O2/c1-3-18-9-14-5-6-15(10-19-14)21-11-12-8-13(17)4-7-16(12)20-2/h4-8,10,18H,3,9,11H2,1-2H3
InChIKeyYNGOFBBVVQDHTB-UHFFFAOYSA-N
XLogP3.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782260
4-[(5-bromo-2-methoxyphenyl)methoxy]phenol
CID 54971308
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
4-bromo-2-[(4-butan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 107667675
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
CID 79783055
methyl 2-[4-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]acetate
CID 55400234
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 105402630
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine (CID 79782055) is N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCc2cc(Br)ccc2OC)cn1.
What is the InChIKey of N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is YNGOFBBVVQDHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-18-9-14-5-6-15(10-19-14)21-11-12-8-13(17)4-7-16(12)20-2/h4-8,10,18H,3,9,11H2,1-2H3.
What are the key properties of N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 351.24 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79782055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).