[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine

C13H12BrClN2O — CID 114869765

IUPAC[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
SMILESCc1cc(Oc2cccc(Cl)c2CN)ncc1Br
InChIInChI=1S/C13H12BrClN2O/c1-8-5-13(17-7-10(8)14)18-12-4-2-3-11(15)9(12)6-16/h2-5,7H,6,16H2,1H3
InChIKeyDTNBDMCDGCGPSB-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.06
Rot. Bonds3

About [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine

[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine (PubChem CID 114869765) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
PubChem CID114869765
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine
SMILESCc1cc(Oc2cccc(Cl)c2CN)ncc1Br
InChIInChI=1S/C13H12BrClN2O/c1-8-5-13(17-7-10(8)14)18-12-4-2-3-11(15)9(12)6-16/h2-5,7H,6,16H2,1H3
InChIKeyDTNBDMCDGCGPSB-UHFFFAOYSA-N
XLogP4.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-chloro-5-methylphenoxy)-4-methylpyridine
CID 114870687
5-bromo-2-(2-methoxyphenoxy)-4-methylpyridine
CID 114870629
6-(2-chlorophenoxy)-4-methylpyridin-3-amine
CID 79020774
5-bromo-2-(2-bromo-4-fluorophenoxy)-4-methylpyridine
CID 114869079
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
CID 106541842
8-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylquinoline
CID 114870685
5-bromo-2-(2,4-difluorophenoxy)-4-methylpyridine
CID 114870597
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
5-bromo-2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]-4-methylpyridine
CID 118344313

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine?
The IUPAC name of [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine (CID 114869765) is [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine?
The canonical SMILES for [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine is Cc1cc(Oc2cccc(Cl)c2CN)ncc1Br.
What is the InChIKey of [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine?
The InChIKey is DTNBDMCDGCGPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c1-8-5-13(17-7-10(8)14)18-12-4-2-3-11(15)9(12)6-16/h2-5,7H,6,16H2,1H3.
What are the key properties of [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine?
[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine has a molecular weight of 327.61 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-6-chlorophenyl]methanamine is sourced from PubChem (CID 114869765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).