2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine

C15H17BrN2O — CID 107722734

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
SMILESCc1cc(OC(CN)c2cccnc2)cc(C)c1Br
InChIInChI=1S/C15H17BrN2O/c1-10-6-13(7-11(2)15(10)16)19-14(8-17)12-4-3-5-18-9-12/h3-7,9,14H,8,17H2,1-2H3
InChIKeyVFOLSSVICWVCLX-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine

2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine (PubChem CID 107722734) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
PubChem CID107722734
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine
SMILESCc1cc(OC(CN)c2cccnc2)cc(C)c1Br
InChIInChI=1S/C15H17BrN2O/c1-10-6-13(7-11(2)15(10)16)19-14(8-17)12-4-3-5-18-9-12/h3-7,9,14H,8,17H2,1-2H3
InChIKeyVFOLSSVICWVCLX-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
CID 107722774
2-(5-bromo-2-fluorophenoxy)-2-pyridin-3-ylethanamine
CID 114671799
3-(1-phenoxypropyl)pyridine
CID 57251428
2-[(3-bromophenyl)methoxy]-2-pyridin-3-ylethanamine
CID 82827586
2-phenoxy-2-phenylethanamine chloride
CID 21228850
2-(4-chloro-3,5-dimethylphenoxy)-2-(3-chlorophenyl)ethanamine
CID 63459198
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-[2-(2-methylpropoxy)ethoxy]-2-pyridin-3-ylethanamine
CID 106446864
2-cyclobutyloxy-2-pyridin-3-ylethanamine
CID 62115429
2-(3-methylphenyl)-2-pyridin-3-ylethanamine
CID 68831421
2-phenoxy-2-phenylethanamine;sulfane
CID 174620608
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine (CID 107722734) is 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine is Cc1cc(OC(CN)c2cccnc2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine?
The InChIKey is VFOLSSVICWVCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-6-13(7-11(2)15(10)16)19-14(8-17)12-4-3-5-18-9-12/h3-7,9,14H,8,17H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine?
2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 107722734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).