5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine

C14H15BrN2O — CID 62194637

IUPAC5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(COc2ccccc2Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-2-16-14-8-7-11(9-17-14)10-18-13-6-4-3-5-12(13)15/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyPPIWRTCOGRLKAH-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.85
Rot. Bonds5

About 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine

5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 62194637) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID62194637
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1ccc(COc2ccccc2Br)cn1
InChIInChI=1S/C14H15BrN2O/c1-2-16-14-8-7-11(9-17-14)10-18-13-6-4-3-5-12(13)15/h3-9H,2,10H2,1H3,(H,16,17)
InChIKeyPPIWRTCOGRLKAH-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine (CID 62194637) is 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1ccc(COc2ccccc2Br)cn1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is PPIWRTCOGRLKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-16-14-8-7-11(9-17-14)10-18-13-6-4-3-5-12(13)15/h3-9H,2,10H2,1H3,(H,16,17).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine?
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 62194637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).