6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine

C16H19BrN2O — CID 83134194

IUPAC6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
SMILESCc1cc(Oc2cccc(NC(C)(C)C)n2)ccc1Br
InChIInChI=1S/C16H19BrN2O/c1-11-10-12(8-9-13(11)17)20-15-7-5-6-14(18-15)19-16(2,3)4/h5-10H,1-4H3,(H,18,19)
InChIKeyMFZKOUUARHQBQA-UHFFFAOYSA-N
MW335.25 g/mol
LogP5.16
Rot. Bonds3

About 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine

6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine (PubChem CID 83134194) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
PubChem CID83134194
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
SMILESCc1cc(Oc2cccc(NC(C)(C)C)n2)ccc1Br
InChIInChI=1S/C16H19BrN2O/c1-11-10-12(8-9-13(11)17)20-15-7-5-6-14(18-15)19-16(2,3)4/h5-10H,1-4H3,(H,18,19)
InChIKeyMFZKOUUARHQBQA-UHFFFAOYSA-N
XLogP5.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.25
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-6-(3-fluoro-4-methylphenoxy)pyridin-2-amine
CID 107170638
6-(2-bromo-4-methoxyphenoxy)-N-tert-butylpyridin-2-amine
CID 104708310
N-tert-butyl-6-(4-ethoxyphenoxy)pyridin-2-amine
CID 115498695
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
6-(4-bromo-3-methylphenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 83145197
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
N-tert-butyl-6-(2-chloro-4-methylphenoxy)pyridin-2-amine
CID 115498798
6-(6-bromonaphthalen-2-yl)oxy-N-ethylpyridin-2-amine
CID 80865759
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine?
The IUPAC name of 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine (CID 83134194) is 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine?
The canonical SMILES for 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine is Cc1cc(Oc2cccc(NC(C)(C)C)n2)ccc1Br.
What is the InChIKey of 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine?
The InChIKey is MFZKOUUARHQBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-10-12(8-9-13(11)17)20-15-7-5-6-14(18-15)19-16(2,3)4/h5-10H,1-4H3,(H,18,19).
What are the key properties of 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine?
6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine is sourced from PubChem (CID 83134194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).