[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine

C13H13BrN2O — CID 80633368

IUPAC[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-5-10(7-15)8-16-13(9)17-12-4-2-3-11(14)6-12/h2-6,8H,7,15H2,1H3
InChIKeyOMUHKLCDGOISHR-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.40
Rot. Bonds3

About [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine

[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine (PubChem CID 80633368) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
PubChem CID80633368
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
SMILESCc1cc(CN)cnc1Oc1cccc(Br)c1
InChIInChI=1S/C13H13BrN2O/c1-9-5-10(7-15)8-16-13(9)17-12-4-2-3-11(14)6-12/h2-6,8H,7,15H2,1H3
InChIKeyOMUHKLCDGOISHR-UHFFFAOYSA-N
XLogP3.40
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-6-(3-methylphenoxy)-3-pyridinyl]methanamine
CID 80636065
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
[6-(1-bromonaphthalen-2-yl)oxy-5-methyl-3-pyridinyl]methanamine
CID 80637587
[6-(2,3-difluorophenoxy)-5-methyl-3-pyridinyl]methanamine;hydrochloride
CID 157448294
[5-methyl-6-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanamine
CID 80633747
(6-methoxy-5-methyl-3-pyridinyl)methanamine
CID 59238572
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461

Frequently Asked Questions

What is the IUPAC name of [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine?
The IUPAC name of [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine (CID 80633368) is [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine is Cc1cc(CN)cnc1Oc1cccc(Br)c1.
What is the InChIKey of [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine?
The InChIKey is OMUHKLCDGOISHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-5-10(7-15)8-16-13(9)17-12-4-2-3-11(14)6-12/h2-6,8H,7,15H2,1H3.
What are the key properties of [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine?
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine has a molecular weight of 293.16 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine is sourced from PubChem (CID 80633368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).