[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine

C14H14BrClN2O — CID 107722438

IUPAC[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
SMILESCc1cc(Oc2nccc(CN)c2Cl)cc(C)c1Br
InChIInChI=1S/C14H14BrClN2O/c1-8-5-11(6-9(2)12(8)15)19-14-13(16)10(7-17)3-4-18-14/h3-6H,7,17H2,1-2H3
InChIKeyJHBSYEGYTRFIKM-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.37
Rot. Bonds3

About [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine

[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine (PubChem CID 107722438) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
PubChem CID107722438
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
SMILESCc1cc(Oc2nccc(CN)c2Cl)cc(C)c1Br
InChIInChI=1S/C14H14BrClN2O/c1-8-5-11(6-9(2)12(8)15)19-14-13(16)10(7-17)3-4-18-14/h3-6H,7,17H2,1-2H3
InChIKeyJHBSYEGYTRFIKM-UHFFFAOYSA-N
XLogP4.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-2-(3,4-dimethylphenoxy)-4-pyridinyl]methanamine
CID 107055950
[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
CID 107722443
[3-chloro-2-(4-ethoxyphenoxy)-4-pyridinyl]methanamine
CID 107055931
[3-chloro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 107055933
[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[3-chloro-2-[4-(trifluoromethoxy)phenoxy]-4-pyridinyl]methanamine
CID 107056201
[3-chloro-2-(2-chloro-5-fluorophenoxy)-4-pyridinyl]methanamine
CID 114264198
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050
[3-chloro-2-(1-propylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 107056208
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
[2-chloro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]methanamine
CID 102724784

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine?
The IUPAC name of [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine (CID 107722438) is [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine is Cc1cc(Oc2nccc(CN)c2Cl)cc(C)c1Br.
What is the InChIKey of [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine?
The InChIKey is JHBSYEGYTRFIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-8-5-11(6-9(2)12(8)15)19-14-13(16)10(7-17)3-4-18-14/h3-6H,7,17H2,1-2H3.
What are the key properties of [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine?
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine has a molecular weight of 341.64 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine is sourced from PubChem (CID 107722438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).