2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine

C14H15BrN2O — CID 67952588

IUPAC2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2Br)nc1
InChIInChI=1S/C14H15BrN2O/c1-10-2-5-14(17-9-10)18-13-4-3-11(6-7-16)8-12(13)15/h2-5,8-9H,6-7,16H2,1H3
InChIKeyONEOPNZZGZFUIN-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.45
Rot. Bonds4

About 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine

2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine (PubChem CID 67952588) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
PubChem CID67952588
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2Br)nc1
InChIInChI=1S/C14H15BrN2O/c1-10-2-5-14(17-9-10)18-13-4-3-11(6-7-16)8-12(13)15/h2-5,8-9H,6-7,16H2,1H3
InChIKeyONEOPNZZGZFUIN-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-[3-isocyano-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
CID 88530630
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
CID 158549441
2-[3-bromo-4-(4-methylpentoxy)phenyl]ethanamine
CID 83162261
3-chloro-4-[(5-methyl-2-pyridinyl)oxy]aniline
CID 43173727
2-[6-(2,3-dimethylphenoxy)-3-pyridinyl]ethanamine
CID 80640428
2-[6-(2-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640534
2-[6-(2-bromo-4-methoxyphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 104708631
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine (CID 67952588) is 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine is Cc1ccc(Oc2ccc(CCN)cc2Br)nc1.
What is the InChIKey of 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
The InChIKey is ONEOPNZZGZFUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-2-5-14(17-9-10)18-13-4-3-11(6-7-16)8-12(13)15/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine?
2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]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-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine is sourced from PubChem (CID 67952588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).