1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine

C16H19BrN2O — CID 107722871

IUPAC1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCc1cc(OC(c2ccccn2)C(C)N)cc(C)c1Br
InChIInChI=1S/C16H19BrN2O/c1-10-8-13(9-11(2)15(10)17)20-16(12(3)18)14-6-4-5-7-19-14/h4-9,12,16H,18H2,1-3H3
InChIKeyTZCRFOGUWDWIOX-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine

1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine (PubChem CID 107722871) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
PubChem CID107722871
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCc1cc(OC(c2ccccn2)C(C)N)cc(C)c1Br
InChIInChI=1S/C16H19BrN2O/c1-10-8-13(9-11(2)15(10)17)20-16(12(3)18)14-6-4-5-7-19-14/h4-9,12,16H,18H2,1-3H3
InChIKeyTZCRFOGUWDWIOX-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
CID 81332247
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55163071
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55246155
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107722833
1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
1-(4-bromo-3,5-dimethylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107722699
2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine (CID 107722871) is 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine is Cc1cc(OC(c2ccccn2)C(C)N)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is TZCRFOGUWDWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-10-8-13(9-11(2)15(10)17)20-16(12(3)18)14-6-4-5-7-19-14/h4-9,12,16H,18H2,1-3H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine?
1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 107722871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).