2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine

C14H15BrN2O — CID 114057591

IUPAC2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Br)cc1Oc1ncccc1CCN
InChIInChI=1S/C14H15BrN2O/c1-10-4-5-12(15)9-13(10)18-14-11(6-7-16)3-2-8-17-14/h2-5,8-9H,6-7,16H2,1H3
InChIKeyHGIGVDIRCSJYEK-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.45
Rot. Bonds4

About 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine

2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine (PubChem CID 114057591) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
PubChem CID114057591
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
SMILESCc1ccc(Br)cc1Oc1ncccc1CCN
InChIInChI=1S/C14H15BrN2O/c1-10-4-5-12(15)9-13(10)18-14-11(6-7-16)3-2-8-17-14/h2-5,8-9H,6-7,16H2,1H3
InChIKeyHGIGVDIRCSJYEK-UHFFFAOYSA-N
XLogP3.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 114057582
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
CID 114057573
2-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651125
[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501
[5-(5-bromo-2-methylphenoxy)pyrazin-2-yl]methanamine
CID 107283228
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
8-[(5-bromo-2-methylphenoxy)methyl]quinoline
CID 107283970
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676
2-(4-bromo-2-quinolin-7-yloxyphenyl)ethanamine
CID 107315464
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine (CID 114057591) is 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine is Cc1ccc(Br)cc1Oc1ncccc1CCN.
What is the InChIKey of 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine?
The InChIKey is HGIGVDIRCSJYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-4-5-12(15)9-13(10)18-14-11(6-7-16)3-2-8-17-14/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine?
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine has a molecular weight of 307.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114057591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).