[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine

C15H16BrClN2O — CID 115402665

IUPAC[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
SMILESCC(C)c1cc(Br)ccc1Oc1ncc(CN)cc1Cl
InChIInChI=1S/C15H16BrClN2O/c1-9(2)12-6-11(16)3-4-14(12)20-15-13(17)5-10(7-18)8-19-15/h3-6,8-9H,7,18H2,1-2H3
InChIKeyWWHDNZXQYZECQT-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.87
Rot. Bonds4

About [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine

[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine (PubChem CID 115402665) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
PubChem CID115402665
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
SMILESCC(C)c1cc(Br)ccc1Oc1ncc(CN)cc1Cl
InChIInChI=1S/C15H16BrClN2O/c1-9(2)12-6-11(16)3-4-14(12)20-15-13(17)5-10(7-18)8-19-15/h3-6,8-9H,7,18H2,1-2H3
InChIKeyWWHDNZXQYZECQT-UHFFFAOYSA-N
XLogP4.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine with MolForge

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Related Compounds

4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
CID 115402686
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
[5-chloro-6-(2,5-dichlorophenoxy)-3-pyridinyl]methanamine
CID 62296562
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961
[6-(4-bromo-2-fluorophenoxy)-5-chloro-3-pyridinyl]methanol
CID 61257547
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 115402628
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-chloropyridine
CID 113302926
4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 115401775
N-[[6-(4-bromo-2-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321679

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine (CID 115402665) is [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine is CC(C)c1cc(Br)ccc1Oc1ncc(CN)cc1Cl.
What is the InChIKey of [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine?
The InChIKey is WWHDNZXQYZECQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-9(2)12-6-11(16)3-4-14(12)20-15-13(17)5-10(7-18)8-19-15/h3-6,8-9H,7,18H2,1-2H3.
What are the key properties of [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine?
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine has a molecular weight of 355.66 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine is sourced from PubChem (CID 115402665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).