6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine

C15H17BrN2O — CID 107727278

IUPAC6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H17BrN2O/c1-4-17-13-6-5-7-14(18-13)19-12-8-10(2)15(16)11(3)9-12/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyWQNZPECBPNBNID-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.69
Rot. Bonds4

About 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine

6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine (PubChem CID 107727278) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
PubChem CID107727278
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H17BrN2O/c1-4-17-13-6-5-7-14(18-13)19-12-8-10(2)15(16)11(3)9-12/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyWQNZPECBPNBNID-UHFFFAOYSA-N
XLogP4.69
TPSA34.15 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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
6-(6-bromonaphthalen-2-yl)oxy-N-ethylpyridin-2-amine
CID 80865759
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 107727323
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477
6-(3-ethoxyphenoxy)-N-ethylpyridin-2-amine
CID 80873339
6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine
CID 80875365
N-ethyl-6-(3-propan-2-ylphenoxy)pyridin-2-amine
CID 80864399
N-ethyl-6-(2-fluoro-3-methylphenoxy)pyridin-2-amine
CID 107662726
4-[[6-(ethylamino)-2-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 80876672
N-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridin-2-amine
CID 80872364
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
6-(4-bromo-3-methylphenoxy)-N-tert-butylpyridin-2-amine
CID 83134194

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine (CID 107727278) is 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine is CCNc1cccc(Oc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine?
The InChIKey is WQNZPECBPNBNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-4-17-13-6-5-7-14(18-13)19-12-8-10(2)15(16)11(3)9-12/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine?
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107727278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).