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

C15H16BrClN2O — CID 115402686

IUPAC[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(Cl)c(CN)n1
InChIInChI=1S/C15H16BrClN2O/c1-9(2)11-7-10(16)3-5-14(11)20-15-6-4-12(17)13(8-18)19-15/h3-7,9H,8,18H2,1-2H3
InChIKeyLRPSMHVAHMBKTI-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.87
Rot. Bonds4

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

[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine (PubChem CID 115402686) 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)-3-chloro-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
PubChem CID115402686
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine
SMILESCC(C)c1cc(Br)ccc1Oc1ccc(Cl)c(CN)n1
InChIInChI=1S/C15H16BrClN2O/c1-9(2)11-7-10(16)3-5-14(11)20-15-6-4-12(17)13(8-18)19-15/h3-7,9H,8,18H2,1-2H3
InChIKeyLRPSMHVAHMBKTI-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)-3-chloro-2-pyridinyl]methanamine with MolForge

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Related Compounds

2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
3-(4-bromo-2-propan-2-ylphenoxy)-6-(chloromethyl)pyridazine
CID 113303012
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
6-(4-bromo-2-propan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 115401558
[3-chloro-6-(4-chloronaphthalen-1-yl)oxy-2-pyridinyl]methanamine
CID 62322786
4-(4-bromo-2-propan-2-ylphenoxy)pyrimidin-2-amine
CID 113303074
N-[[6-(4-bromo-2-methylphenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 63487989
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
6-(4-bromo-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 113303072
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081
1-[2-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928961

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine?
The IUPAC name of [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine (CID 115402686) is [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine?
The canonical SMILES for [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine is CC(C)c1cc(Br)ccc1Oc1ccc(Cl)c(CN)n1.
What is the InChIKey of [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine?
The InChIKey is LRPSMHVAHMBKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-9(2)11-7-10(16)3-5-14(11)20-15-6-4-12(17)13(8-18)19-15/h3-7,9H,8,18H2,1-2H3.
What are the key properties of [6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-pyridinyl]methanamine?
[6-(4-bromo-2-propan-2-ylphenoxy)-3-chloro-2-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)-3-chloro-2-pyridinyl]methanamine is sourced from PubChem (CID 115402686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).