2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline

C14H15BrN2O — CID 102902966

IUPAC2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
SMILESCc1cc(OCCc2ccccc2N)ncc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-8-14(17-9-12(10)15)18-7-6-11-4-2-3-5-13(11)16/h2-5,8-9H,6-7,16H2,1H3
InChIKeyGIXKSEHVGXQORO-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline

2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline (PubChem CID 102902966) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
PubChem CID102902966
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline
SMILESCc1cc(OCCc2ccccc2N)ncc1Br
InChIInChI=1S/C14H15BrN2O/c1-10-8-14(17-9-12(10)15)18-7-6-11-4-2-3-5-13(11)16/h2-5,8-9H,6-7,16H2,1H3
InChIKeyGIXKSEHVGXQORO-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethanamine
CID 114869805
2-[2-(5-bromopyrimidin-4-yl)oxyethyl]aniline
CID 102902960
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
4-[(5-bromo-4-methyl-2-pyridinyl)oxy]-2-methylbutan-2-ol
CID 57422597
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-N-ethylethanamine
CID 114869802
N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 114869808
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646
2-[(5-bromo-4-methyl-2-pyridinyl)oxy]-5-methylaniline
CID 114869421
3-[2-(2-aminophenyl)ethyl]-5-bromo-2-methylpyrimidin-4-one
CID 66309851
5-bromo-2-(2-methoxyphenoxy)-4-methylpyridine
CID 114870629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline?
The IUPAC name of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline (CID 102902966) is 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline is Cc1cc(OCCc2ccccc2N)ncc1Br.
What is the InChIKey of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline?
The InChIKey is GIXKSEHVGXQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-8-14(17-9-12(10)15)18-7-6-11-4-2-3-5-13(11)16/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline?
2-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]aniline has a molecular weight of 307.19 g/mol, XLogP of 3.36, 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-4-methyl-2-pyridinyl)oxy]ethyl]aniline is sourced from PubChem (CID 102902966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).