1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine

C16H19BrN2O — CID 83133333

IUPAC1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(C)c1)c1ccccn1
InChIInChI=1S/C16H19BrN2O/c1-3-14(18)16(15-6-4-5-9-19-15)20-12-7-8-13(17)11(2)10-12/h4-10,14,16H,3,18H2,1-2H3
InChIKeyAKIRGLLBLFCHFU-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine

1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine (PubChem CID 83133333) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
PubChem CID83133333
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
SMILESCCC(N)C(Oc1ccc(Br)c(C)c1)c1ccccn1
InChIInChI=1S/C16H19BrN2O/c1-3-14(18)16(15-6-4-5-9-19-15)20-12-7-8-13(17)11(2)10-12/h4-10,14,16H,3,18H2,1-2H3
InChIKeyAKIRGLLBLFCHFU-UHFFFAOYSA-N
XLogP4.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-2-pyridin-2-ylethanamine
CID 83132841
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 107722871
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
CID 82005131
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268
1-(4-chloro-3-methylphenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63459345
1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
CID 102605618
1-(5-bromothiophen-2-yl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63460438
1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
CID 64729371

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine (CID 83133333) is 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine is CCC(N)C(Oc1ccc(Br)c(C)c1)c1ccccn1.
What is the InChIKey of 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine?
The InChIKey is AKIRGLLBLFCHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-3-14(18)16(15-6-4-5-9-19-15)20-12-7-8-13(17)11(2)10-12/h4-10,14,16H,3,18H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine?
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 83133333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).