5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine

C15H17BrN2O2 — CID 133444684

IUPAC5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
SMILESCOc1ccc(COCCNc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-19-14-5-2-12(3-6-14)11-20-9-8-17-15-7-4-13(16)10-18-15/h2-7,10H,8-9,11H2,1H3,(H,17,18)
InChIKeyZITBYLJAAKGSFZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.48
Rot. Bonds7

About 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine

5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine (PubChem CID 133444684) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
PubChem CID133444684
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
SMILESCOc1ccc(COCCNc2ccc(Br)cn2)cc1
InChIInChI=1S/C15H17BrN2O2/c1-19-14-5-2-12(3-6-14)11-20-9-8-17-15-7-4-13(16)10-18-15/h2-7,10H,8-9,11H2,1H3,(H,17,18)
InChIKeyZITBYLJAAKGSFZ-UHFFFAOYSA-N
XLogP3.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
5-bromo-N-[2-(4-methoxyphenoxy)propyl]pyridin-2-amine
CID 133323967
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
5-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]pyridin-2-amine
CID 106504298
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
CID 133444704
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
1-bromo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799162
5-methoxy-N-propylpyridin-2-amine
CID 106503925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine (CID 133444684) is 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine is COc1ccc(COCCNc2ccc(Br)cn2)cc1.
What is the InChIKey of 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine?
The InChIKey is ZITBYLJAAKGSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-19-14-5-2-12(3-6-14)11-20-9-8-17-15-7-4-13(16)10-18-15/h2-7,10H,8-9,11H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine?
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine has a molecular weight of 337.22 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 133444684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).