1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine

C15H17BrN2O — CID 55163071

IUPAC1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCc1cc(Br)ccc1OC(c1ccccn1)C(C)N
InChIInChI=1S/C15H17BrN2O/c1-10-9-12(16)6-7-14(10)19-15(11(2)17)13-5-3-4-8-18-13/h3-9,11,15H,17H2,1-2H3
InChIKeyNYAGUQZOASQCFI-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine

1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine (PubChem CID 55163071) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
PubChem CID55163071
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
SMILESCc1cc(Br)ccc1OC(c1ccccn1)C(C)N
InChIInChI=1S/C15H17BrN2O/c1-10-9-12(16)6-7-14(10)19-15(11(2)17)13-5-3-4-8-18-13/h3-9,11,15H,17H2,1-2H3
InChIKeyNYAGUQZOASQCFI-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 107722871
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
1-(3-bromo-5-fluorophenoxy)-1-pyridin-2-ylpropan-2-amine
CID 81332247
1-(2-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 63648828
2-(4-bromo-2-propan-2-ylphenoxy)-2-pyridin-2-ylethanamine
CID 115401604
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
1-(4-methylsulfanylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 55246155
1-(5-bromo-2-methylphenoxy)-1-pyridin-3-ylpropan-2-amine
CID 107283449
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
1-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)butan-2-amine
CID 63460868
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The IUPAC name of 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine (CID 55163071) is 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine is Cc1cc(Br)ccc1OC(c1ccccn1)C(C)N.
What is the InChIKey of 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine?
The InChIKey is NYAGUQZOASQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-9-12(16)6-7-14(10)19-15(11(2)17)13-5-3-4-8-18-13/h3-9,11,15H,17H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine?
1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenoxy)-1-pyridin-2-ylpropan-2-amine is sourced from PubChem (CID 55163071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).