N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine

C15H17BrN2O — CID 105075462

IUPACN-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1ccc(C)cc1Br
InChIInChI=1S/C15H17BrN2O/c1-3-17-9-12-6-7-18-10-15(12)19-14-5-4-11(2)8-13(14)16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyDVRLVDUAEFUKPU-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.05
Rot. Bonds5

About N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105075462) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105075462
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccncc1Oc1ccc(C)cc1Br
InChIInChI=1S/C15H17BrN2O/c1-3-17-9-12-6-7-18-10-15(12)19-14-5-4-11(2)8-13(14)16/h4-8,10,17H,3,9H2,1-2H3
InChIKeyDVRLVDUAEFUKPU-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075460
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[3-(4-bromo-2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075633
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075483
N-[[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552938
N-[[5-bromo-2-(2-chloro-4-methylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62672744

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 105075462) is N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1ccncc1Oc1ccc(C)cc1Br.
What is the InChIKey of N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is DVRLVDUAEFUKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-3-17-9-12-6-7-18-10-15(12)19-14-5-4-11(2)8-13(14)16/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105075462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).